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emical database
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Smiles
Journal Title
GO
Chemical and Pharmaceutical Bulletin - 925 compounds - page 6
ethyl 2-oxido-3-pyridazinylcarbamate
Molecular Formula:
C
7
H
9
N
3
O
3
Molecular Weight:
183.167 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dimethyl-1,2,3,4,5,6-hexahydrobenzo[f]quinoline
Molecular Formula:
C
15
H
19
N
Molecular Weight:
213.323 g/mol
Cas Number:
-
EINECS Number:
-
2-quinazolin-4-yl-cyclopentan-1-one
Molecular Formula:
C
13
H
12
N
2
O
Molecular Weight:
212.251 g/mol
Cas Number:
-
EINECS Number:
-
[4-amino-6-(4-toluidino)-1,3,5-triazin-2-yl]acetonitrile
Molecular Formula:
C
12
H
12
N
6
Molecular Weight:
240.268 g/mol
Cas Number:
-
EINECS Number:
-
Sulfanilamide
Molecular Formula:
C
6
H
8
N
2
O
2
S
Molecular Weight:
172.208 g/mol
Cas Number:
63-74-1
EINECS Number:
200-563-4
2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbothioamide
Molecular Formula:
C
5
H
5
N
3
O
2
S
Molecular Weight:
171.18 g/mol
Cas Number:
-
EINECS Number:
-
5-(aminomethyl)-2,4(1H,3H)-pyrimidinedione
Molecular Formula:
C
5
H
7
N
3
O
2
Molecular Weight:
141.13 g/mol
Cas Number:
-
EINECS Number:
-
7-methoxy-1,2-dihydronaphthalene
Molecular Formula:
C
11
H
12
O
Molecular Weight:
160.216 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxy-6-methoxy-1,2,3,4-tetrahydro-1-naphthalenyl acetate
Molecular Formula:
C
13
H
16
O
4
Molecular Weight:
236.268 g/mol
Cas Number:
-
EINECS Number:
-
6-methoxytetralin-2-one
Molecular Formula:
C
11
H
12
O
2
Molecular Weight:
176.215 g/mol
Cas Number:
2472-22-2
EINECS Number:
219-592-9
2,3-dihydrofuro[2,3-b]quinolin-4-yl methyl ether
Molecular Formula:
C
12
H
11
NO
2
Molecular Weight:
201.225 g/mol
Cas Number:
-
EINECS Number:
-
2-amino-4-(ethylsulfonimidoyl)butanoic acid
Molecular Formula:
C
6
H
14
N
2
O
3
S
Molecular Weight:
194.255 g/mol
Cas Number:
-
EINECS Number:
-
N-homoveratrylacetamide
Molecular Formula:
C
12
H
17
NO
3
Molecular Weight:
223.272 g/mol
Cas Number:
6275-29-2
EINECS Number:
-
N-homoveratryl-N-nitroso-acetamide
Molecular Formula:
C
12
H
16
N
2
O
4
Molecular Weight:
252.27 g/mol
Cas Number:
-
EINECS Number:
-
acetic acid homoveratryl ester
Molecular Formula:
C
12
H
16
O
4
Molecular Weight:
224.257 g/mol
Cas Number:
14617-41-5
EINECS Number:
-
2-(3,4-dimethoxyphenyl)ethanol
Molecular Formula:
C
10
H
14
O
3
Molecular Weight:
182.219 g/mol
Cas Number:
7417-21-2
EINECS Number:
231-032-5
8,9-dimethoxy-2-methyl-5,6-dihydro-2H-isoxazolo[3,2-a]isoquinoline
Molecular Formula:
C
14
H
17
NO
3
Molecular Weight:
247.294 g/mol
Cas Number:
-
EINECS Number:
-
1-(6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-2-propanol
Molecular Formula:
C
14
H
21
NO
3
Molecular Weight:
251.326 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2E)-(2-methylcyclohexylidene)ethanoate
Molecular Formula:
C
11
H
18
O
2
Molecular Weight:
182.263 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2E)-2-(3-methyl-1-phenethylpiperidin-4-ylidene)acetate
Molecular Formula:
C
18
H
25
NO
2
Molecular Weight:
287.402 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2E)-3-(2-pyridinyl)-2-propenoate
Molecular Formula:
C
10
H
11
NO
2
Molecular Weight:
177.203 g/mol
Cas Number:
70526-11-3
EINECS Number:
-
5-butyl-1,3,4-oxadiazol-2-amine
Molecular Formula:
C
6
H
11
N
3
O
Molecular Weight:
141.173 g/mol
Cas Number:
52838-38-7
EINECS Number:
-
5-butyl-4H-1,2,4-triazole-3,4-diamine
Molecular Formula:
C
6
H
13
N
5
Molecular Weight:
155.203 g/mol
Cas Number:
-
EINECS Number:
-
3-butyl[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,7(5H,8H)-dione
Molecular Formula:
C
8
H
11
N
5
O
2
Molecular Weight:
209.208 g/mol
Cas Number:
-
EINECS Number:
-
2-nitrobenzaldehyde hydrazone
Molecular Formula:
C
7
H
7
N
3
O
2
Molecular Weight:
165.152 g/mol
Cas Number:
3718-21-6
EINECS Number:
-
6,7-dimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]isoquinoline
Molecular Formula:
C
12
H
13
NO
2
Molecular Weight:
203.241 g/mol
Cas Number:
-
EINECS Number:
-
N-(2-hydroxy-3-pyridinyl)acetamide
Molecular Formula:
C
7
H
8
N
2
O
2
Molecular Weight:
152.153 g/mol
Cas Number:
-
EINECS Number:
-
N-(2-hydroxy-3-pyridinyl)urea
Molecular Formula:
C
6
H
7
N
3
O
2
Molecular Weight:
153.141 g/mol
Cas Number:
-
EINECS Number:
-
1-[(4-methylphenyl)sulfonyl][1,3]oxazolo[5,4-b]pyridin-2(1H)-one
Molecular Formula:
C
13
H
10
N
2
O
4
S
Molecular Weight:
290.299 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl[1,3]oxazolo[5,4-b]pyridine
Molecular Formula:
C
7
H
6
N
2
O
Molecular Weight:
134.138 g/mol
Cas Number:
-
EINECS Number:
-
[1,3]oxazolo[5,4-b]pyridin-2-amine
Molecular Formula:
C
6
H
5
N
3
O
Molecular Weight:
135.125 g/mol
Cas Number:
-
EINECS Number:
-
[1-(3-methoxyphenyl)cyclohexyl]acetyl azide
Molecular Formula:
C
15
H
19
N
3
O
2
Molecular Weight:
273.335 g/mol
Cas Number:
-
EINECS Number:
-
[1-(3-methoxyphenyl)cyclohexyl]methanamine
Molecular Formula:
C
14
H
21
NO
Molecular Weight:
219.327 g/mol
Cas Number:
-
EINECS Number:
-
6-propyl[1,3,4]thiadiazolo[3,2-d]tetraazole
Molecular Formula:
C
5
H
7
N
5
S
Molecular Weight:
169.21 g/mol
Cas Number:
-
EINECS Number:
-
4-methylpyridine
Molecular Formula:
C
6
H
7
N
Molecular Weight:
93.128 g/mol
Cas Number:
108-89-4
EINECS Number:
203-626-4
2,3-quinoxalinediamine
Molecular Formula:
C
8
H
8
N
4
Molecular Weight:
160.178 g/mol
Cas Number:
6640-47-7
EINECS Number:
-
2-(4-nitrophenyl)[1,3]oxazolo[4,5-b]quinoxaline
Molecular Formula:
C
15
H
8
N
4
O
3
Molecular Weight:
292.254 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-methyl-3-quinolinecarboxylate
Molecular Formula:
C
13
H
13
NO
2
Molecular Weight:
215.252 g/mol
Cas Number:
15785-08-7
EINECS Number:
-
2,6-dimethyl-4-pyrimidinecarbonitrile
Molecular Formula:
C
7
H
7
N
3
Molecular Weight:
133.153 g/mol
Cas Number:
-
EINECS Number:
-
benzylbenzene
Molecular Formula:
C
13
H
12
Molecular Weight:
168.238 g/mol
Cas Number:
101-81-5
EINECS Number:
202-978-6
2-thiophenecarbonitrile
Molecular Formula:
C
5
H
3
NS
Molecular Weight:
109.152 g/mol
Cas Number:
1003-31-2
EINECS Number:
213-706-0
3-amino-1,8-naphthyridine-2-carbonitrile
Molecular Formula:
C
9
H
6
N
4
Molecular Weight:
170.174 g/mol
Cas Number:
-
EINECS Number:
-
2-propyl-1,3-cyclopentanedione
Molecular Formula:
C
8
H
12
O
2
Molecular Weight:
140.182 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-2-thioxo-hexahydro-pyrimidine-4,6-dione
Molecular Formula:
C
5
H
6
N
2
O
2
S
Molecular Weight:
158.181 g/mol
Cas Number:
23450-37-5
EINECS Number:
-
1-methyl-1,9-dihydro-6H-purin-6-one
Molecular Formula:
C
6
H
6
N
4
O
Molecular Weight:
150.14 g/mol
Cas Number:
1125-39-9
EINECS Number:
-
2-(3-oxo-1-phenylbutyl)-1H-indene-1,3(2H)-dione
Molecular Formula:
C
19
H
16
O
3
Molecular Weight:
292.334 g/mol
Cas Number:
-
EINECS Number:
-
benzo[g]pteridine-2,4(1H,3H)-dione 5-oxide
Molecular Formula:
C
10
H
6
N
4
O
3
Molecular Weight:
230.183 g/mol
Cas Number:
-
EINECS Number:
-
2'-(cyanomethyl)[1,1'-biphenyl]-2-carboxylic acid
Molecular Formula:
C
15
H
11
NO
2
Molecular Weight:
237.258 g/mol
Cas Number:
-
EINECS Number:
-
N-ethyl-1H-indole-2-carboxamide
Molecular Formula:
C
11
H
12
N
2
O
Molecular Weight:
188.229 g/mol
Cas Number:
-
EINECS Number:
-
Benzamide
Molecular Formula:
C
7
H
7
NO
Molecular Weight:
121.139 g/mol
Cas Number:
55-21-0
EINECS Number:
200-227-7
ethyl 1H-indole-2-carboxylate
Molecular Formula:
C
11
H
11
NO
2
Molecular Weight:
189.214 g/mol
Cas Number:
3770-50-1
EINECS Number:
223-206-4
3-methoxy-9,10-dihydro-2-phenanthrenol
Molecular Formula:
C
15
H
14
O
2
Molecular Weight:
226.275 g/mol
Cas Number:
-
EINECS Number:
-
1-naphthylacetonitrile
Molecular Formula:
C
12
H
9
N
Molecular Weight:
167.21 g/mol
Cas Number:
132-75-2
EINECS Number:
205-078-1
1,3,4-trimethyl-1H-pyrrolo[1,2-a]benzimidazol-2(4H)-one
Molecular Formula:
C
13
H
14
N
2
O
Molecular Weight:
214.267 g/mol
Cas Number:
-
EINECS Number:
-
4-butyl-2,3-octadienenitrile
Molecular Formula:
C
12
H
19
N
Molecular Weight:
177.29 g/mol
Cas Number:
-
EINECS Number:
-
4-butyl-2-methyl-2,3-octadienenitrile
Molecular Formula:
C
13
H
21
N
Molecular Weight:
191.316 g/mol
Cas Number:
-
EINECS Number:
-
(4-fluorophenyl)(4-quinazolinyl)methanone
Molecular Formula:
C
15
H
9
FN
2
O
Molecular Weight:
252.248 g/mol
Cas Number:
-
EINECS Number:
-
6-amino-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
Molecular Formula:
C
9
H
13
N
3
O
2
Molecular Weight:
195.221 g/mol
Cas Number:
-
EINECS Number:
-
1-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
Molecular Formula:
C
16
H
16
O
2
Molecular Weight:
240.302 g/mol
Cas Number:
-
EINECS Number:
-
2-methoxy-5-methyl-4H-1,4-thiazin-3-one
Molecular Formula:
C
6
H
9
NO
2
S
Molecular Weight:
159.209 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethoxy-5-methyl-4H-1,4-thiazin-3-one
Molecular Formula:
C
7
H
11
NO
3
S
Molecular Weight:
189.235 g/mol
Cas Number:
-
EINECS Number:
-
4-(benzenesulfonylmethyl)-3-ethoxypyridine
Molecular Formula:
C
14
H
15
NO
3
S
Molecular Weight:
277.344 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
Molecular Formula:
C
8
H
9
N
3
Molecular Weight:
147.18 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Molecular Formula:
C
7
H
7
N
3
O
Molecular Weight:
149.152 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dimethoxy-5H-pyrrolo[3,2-d]pyrimidine
Molecular Formula:
C
8
H
9
N
3
O
2
Molecular Weight:
179.178 g/mol
Cas Number:
10024-19-8
EINECS Number:
-
(1E)-1-phenyl-1,5-hexadien-3-ol
Molecular Formula:
C
12
H
14
O
Molecular Weight:
174.243 g/mol
Cas Number:
-
EINECS Number:
-
4,5-dimethyl-3,3-bis(methylsulfanyl-methyl)-indole
Molecular Formula:
C
14
H
19
NS
2
Molecular Weight:
265.444 g/mol
Cas Number:
-
EINECS Number:
-
4-(methoxymethyloxy)-3,3-bis(methylsulfanyl-methyl)-indole
Molecular Formula:
C
14
H
19
NO
2
S
2
Molecular Weight:
297.442 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-3-(methylsulfanyl-methyl)-indole
Molecular Formula:
C
11
H
13
NS
Molecular Weight:
191.297 g/mol
Cas Number:
-
EINECS Number:
-
3-[2-(methoxymethoxy)ethyl]-3-[(methylsulfanyl)methyl]-3H-indole
Molecular Formula:
C
14
H
19
NO
2
S
Molecular Weight:
265.376 g/mol
Cas Number:
-
EINECS Number:
-
4-methoxy-2-methyl-7H-furo[3,2-f]chromen-7-one
Molecular Formula:
C
13
H
10
O
4
Molecular Weight:
230.22 g/mol
Cas Number:
-
EINECS Number:
-
3-mesyl-8-methoxy-3-benzazepine
Molecular Formula:
C
12
H
13
NO
3
S
Molecular Weight:
251.306 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
Molecular Formula:
C
12
H
14
N
2
Molecular Weight:
186.257 g/mol
Cas Number:
525-40-6
EINECS Number:
-
1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline
Molecular Formula:
C
17
H
16
N
2
Molecular Weight:
248.328 g/mol
Cas Number:
3790-45-2
EINECS Number:
-
2,6-dimethyl-6-(methylsulfanyl-methyl)-cyclohexa-2,4-dien-1-one
Molecular Formula:
C
10
H
14
OS
Molecular Weight:
182.287 g/mol
Cas Number:
-
EINECS Number:
-
5,6-dimethyl-2,6-bis(methylsulfanyl-methyl)-cyclohexa-2,4-dien-1-one
Molecular Formula:
C
12
H
18
OS
2
Molecular Weight:
242.406 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-acetylthieno[3,2-a]indolizine-9-carboxylate
Molecular Formula:
C
15
H
13
NO
3
S
Molecular Weight:
287.339 g/mol
Cas Number:
-
EINECS Number:
-
1-phenylmethoxycarbonyl-piperidine-4-carboxylic acid
Molecular Formula:
C
14
H
17
NO
4
Molecular Weight:
263.293 g/mol
Cas Number:
10314-98-4
EINECS Number:
-
3-(4-acetoxy-phenyl)-propionic acid
Molecular Formula:
C
11
H
12
O
4
Molecular Weight:
208.214 g/mol
Cas Number:
7249-16-3
EINECS Number:
-
2,3-diphenyl-2,3-dihydro-1,3,4-thiadiazole
Molecular Formula:
C
14
H
12
N
2
S
Molecular Weight:
240.329 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-2,3-diphenyl-2,3-dihydro-1,3,4-thiadiazole
Molecular Formula:
C
15
H
14
N
2
S
Molecular Weight:
254.356 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dimethyl-6,7-dihydrofuro[3,4-c]pyridine-3,4(1H,5H)-dione
Molecular Formula:
C
9
H
11
NO
3
Molecular Weight:
181.191 g/mol
Cas Number:
-
EINECS Number:
-
4-methoxybenzaldehyde
Molecular Formula:
C
8
H
8
O
2
Molecular Weight:
136.15 g/mol
Cas Number:
123-11-5
EINECS Number:
204-602-6
diphenylacetaldehyde
Molecular Formula:
C
14
H
12
O
Molecular Weight:
196.249 g/mol
Cas Number:
947-91-1
EINECS Number:
213-433-7
Cyclohexanecarbaldehyde
Molecular Formula:
C
7
H
12
O
Molecular Weight:
112.172 g/mol
Cas Number:
2043-61-0
EINECS Number:
218-057-7
3-Phenylpropanal
Molecular Formula:
C
9
H
10
O
Molecular Weight:
134.178 g/mol
Cas Number:
104-53-0
EINECS Number:
203-211-8
dimethyl 1,4-dihydroxy-2,3-naphthalenedicarboxylate
Molecular Formula:
C
14
H
12
O
6
Molecular Weight:
276.246 g/mol
Cas Number:
-
EINECS Number:
-
3-bromo-2-hydroxybenzaldehyde
Molecular Formula:
C
7
H
5
BrO
2
Molecular Weight:
201.02 g/mol
Cas Number:
1829-34-1
EINECS Number:
-
3-dimethylamino-1-phenylpropan-1-one
Molecular Formula:
C
11
H
15
NO
Molecular Weight:
177.246 g/mol
Cas Number:
879-72-1
EINECS Number:
212-909-1
2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone
Molecular Formula:
C
16
H
23
NO
Molecular Weight:
245.365 g/mol
Cas Number:
728-88-1
EINECS Number:
211-976-4
3-diethylamino-1-thiophen-2-ylpropan-1-one
Molecular Formula:
C
11
H
17
NOS
Molecular Weight:
211.328 g/mol
Cas Number:
-
EINECS Number:
-
4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Molecular Formula:
C
7
H
9
NS
Molecular Weight:
139.221 g/mol
Cas Number:
54903-50-3
EINECS Number:
259-389-2
1-piperidinecarbaldehyde
Molecular Formula:
C
6
H
11
NO
Molecular Weight:
113.159 g/mol
Cas Number:
2591-86-8
EINECS Number:
219-986-0
2-furylmethyl formate
Molecular Formula:
C
6
H
6
O
3
Molecular Weight:
126.112 g/mol
Cas Number:
-
EINECS Number:
-
3-(trifluoroacetyl)-4H-chromen-4-one
Molecular Formula:
C
11
H
5
F
3
O
3
Molecular Weight:
242.154 g/mol
Cas Number:
-
EINECS Number:
-
3-methylsulfanyl-chromen-4-one
Molecular Formula:
C
10
H
8
O
2
S
Molecular Weight:
192.238 g/mol
Cas Number:
-
EINECS Number:
-
6,7-dimethoxy-3-phenyl-isocarbostyril
Molecular Formula:
C
17
H
15
NO
3
Molecular Weight:
281.311 g/mol
Cas Number:
-
EINECS Number:
-
1,2-diphenylethanone
Molecular Formula:
C
14
H
12
O
Molecular Weight:
196.249 g/mol
Cas Number:
451-40-1
EINECS Number:
207-193-2
methyl 4-(1-hydroxy-3-butenyl)benzoate
Molecular Formula:
C
12
H
14
O
3
Molecular Weight:
206.241 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-5-hexene-1,3-diol
Molecular Formula:
C
7
H
14
O
2
Molecular Weight:
130.187 g/mol
Cas Number:
-
EINECS Number:
-
1
2
3
4
5
6
7
8
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