CAS RN: 17867-06-0
CAS Name: N-(2-pyridinyl)-1-[4-(2-pyridinyliminomethyl)phenyl]methanimine
OPENEYE Name: N-(2-pyridyl)-1-[4-(2-pyridyliminomethyl)phenyl]methanimine
IUPAC Name: N-pyridin-2-yl-1-[4-(pyridin-2-yliminomethyl)phenyl]methanimine
SYSTEMATIC NAME: N-pyridin-2-yl-1-[4-(pyridin-2-yliminomethyl)phenyl]methanimine
MOLECULAR FORMULA: C18H14N4
MOLECULAR WEIGHT: 286.33056
SMILES: C1=CC=NC(=C1)N=CC2=CC=C(C=C2)C=NC3=CC=CC=N3
Structure:
CAS RN: 50910-13-9
CAS Name: acetic acid [4-(methylthio)phenyl] ester
OPENEYE Name: (4-methylsulfanylphenyl) acetate
IUPAC Name: (4-methylsulfanylphenyl) acetate
SYSTEMATIC NAME: (4-methylsulfanylphenyl) ethanoate
MOLECULAR FORMULA: C9H10O2S
MOLECULAR WEIGHT: 182.2395
SMILES: CC(=O)OC1=CC=C(C=C1)SC
Structure:
CAS RN: 949-44-0
CAS Name: N-[4-(hydroxymethylsulfonyl)phenyl]acetamide
OPENEYE Name: N-[4-(hydroxymethylsulfonyl)phenyl]acetamide
IUPAC Name: N-[4-(hydroxymethylsulfonyl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(hydroxymethylsulfonyl)phenyl]ethanamide
MOLECULAR FORMULA: C9H11NO4S
MOLECULAR WEIGHT: 229.25294
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CO
Structure:
CAS RN: 49835-53-2
CAS Name: 4-oxo-4-pyridin-4-ylbutanenitrile
OPENEYE Name: 4-oxo-4-(4-pyridyl)butanenitrile
IUPAC Name: 4-oxo-4-pyridin-4-ylbutanenitrile
SYSTEMATIC NAME: 4-oxidanylidene-4-pyridin-4-yl-butanenitrile
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: C1=CN=CC=C1C(=O)CCC#N
Structure:
CAS RN: 71818-83-2
CAS Name: 2-(4-morpholinyl)-2-pyridin-4-ylpentanedinitrile
OPENEYE Name: 2-morpholino-2-(4-pyridyl)pentanedinitrile
IUPAC Name: 2-morpholin-4-yl-2-pyridin-4-ylpentanedinitrile
SYSTEMATIC NAME: 2-morpholin-4-yl-2-pyridin-4-yl-pentanedinitrile
MOLECULAR FORMULA: C14H16N4O
MOLECULAR WEIGHT: 256.30304
SMILES: C1COCCN1C(CCC#N)(C#N)C2=CC=NC=C2
Structure:
CAS RN: 51700-68-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H13N5
MOLECULAR WEIGHT: 263.29722
SMILES: CCN1C2=NC=C3C(=NN=C3C2=CN1)C4=CC=CC=C4
Structure:
CAS RN: 39973-62-1
CAS Name: (4-anilino-1-ethyl-5-pyrazolo[3,4-b]pyridinyl)-phenylmethanone
OPENEYE Name: (4-anilino-1-ethyl-pyrazolo[3,4-b]pyridin-5-yl)-phenyl-methanone
IUPAC Name: (4-anilino-1-ethylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone
SYSTEMATIC NAME: (1-ethyl-4-phenylazanyl-pyrazolo[3,4-b]pyridin-5-yl)-phenyl-methanone
MOLECULAR FORMULA: C21H18N4O
MOLECULAR WEIGHT: 342.39382
SMILES: CCN1C2=NC=C(C(=C2C=N1)NC3=CC=CC=C3)C(=O)C4=CC=CC=C4
Structure:
CAS RN: 41095-01-6
CAS Name: 5-acetyl-4-(butylamino)-6-oxo-1H-pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-acetyl-4-(butylamino)-6-oxo-1H-pyridine-3-carboxylate
IUPAC Name: ethyl 5-acetyl-4-(butylamino)-6-oxo-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(butylamino)-5-ethanoyl-6-oxidanylidene-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C14H20N2O4
MOLECULAR WEIGHT: 280.3196
SMILES: CCCCNC1=C(C(=O)NC=C1C(=O)OCC)C(=O)C
Structure:
CAS RN: 39057-41-5
CAS Name: 3-methyl-4-[3-(trifluoromethyl)anilino]-5-isoxazolo[5,4-b]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-4-[3-(trifluoromethyl)anilino]isoxazolo[5,4-b]pyridine-5-carboxylate
IUPAC Name: ethyl 3-methyl-4-[3-(trifluoromethyl)anilino]-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-4-[[3-(trifluoromethyl)phenyl]amino]-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C17H14F3N3O3
MOLECULAR WEIGHT: 365.30657
SMILES: CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC(=C3)C(F)(F)F)C(=NO2)C
Structure:
CAS RN: 34966-24-0
CAS Name: 1-ethyl-4-(2-methylpropylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-ethyl-4-(isobutylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
IUPAC Name: ethyl 1-ethyl-4-(2-methylpropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-4-(2-methylpropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C15H22N4O2
MOLECULAR WEIGHT: 290.36078
SMILES: CCN1C2=NC=C(C(=C2C=N1)NCC(C)C)C(=O)OCC
Structure:
CAS RN: 37801-76-6
CAS Name: 1-ethyl-4-prop-2-enoxy-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-allyloxy-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylate
IUPAC Name: ethyl 1-ethyl-4-prop-2-enoxypyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-4-prop-2-enoxy-pyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C14H17N3O3
MOLECULAR WEIGHT: 275.30308
SMILES: CCN1C2=NC=C(C(=C2C=N1)OCC=C)C(=O)OCC
Structure:
CAS RN: 34966-15-9
CAS Name: 1-ethyl-4-[4-(2-hydroxyethyl)-1-piperazinyl]-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
IUPAC Name: ethyl 1-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C17H25N5O3
MOLECULAR WEIGHT: 347.4121
SMILES: CCN1C2=NC=C(C(=C2C=N1)N3CCN(CC3)CCO)C(=O)OCC
Structure:
CAS RN: 37801-75-5
CAS Name: 1-ethyl-3-methyl-4-prop-2-ynoxy-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-ethyl-3-methyl-4-prop-2-ynoxy-pyrazolo[3,4-b]pyridine-5-carboxylate
IUPAC Name: ethyl 1-ethyl-3-methyl-4-prop-2-ynoxypyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-3-methyl-4-prop-2-ynoxy-pyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: CCN1C2=NC=C(C(=C2C(=N1)C)OCC#C)C(=O)OCC
Structure:
CAS RN: 37801-68-6
CAS Name: 1-ethyl-4-phenylmethoxy-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-benzyloxy-1-ethyl-pyrazolo[3,4-b]pyridine-5-carboxylate
IUPAC Name: ethyl 1-ethyl-4-phenylmethoxypyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-4-phenylmethoxy-pyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C18H19N3O3
MOLECULAR WEIGHT: 325.36176
SMILES: CCN1C2=NC=C(C(=C2C=N1)OCC3=CC=CC=C3)C(=O)OCC
Structure:
CAS RN: 5758-11-2
CAS Name: N-(9-fluorenylideneamino)-N-methylmethanamine
OPENEYE Name: N-(fluoren-9-ylideneamino)-N-methyl-methanamine
IUPAC Name: N-(fluoren-9-ylideneamino)-N-methylmethanamine
SYSTEMATIC NAME: N-(fluoren-9-ylideneamino)-N-methyl-methanamine
MOLECULAR FORMULA: C15H14N2
MOLECULAR WEIGHT: 222.28506
SMILES: CN(C)N=C1C2=CC=CC=C2C3=CC=CC=C31
Structure:
CAS RN: 59670-39-2
CAS Name: 4-[(dimethylhydrazinylidene)methyl]-N,N-diethylaniline
OPENEYE Name: 4-[(dimethylhydrazono)methyl]-N,N-diethyl-aniline
IUPAC Name: 4-[(dimethylhydrazinylidene)methyl]-N,N-diethylaniline
SYSTEMATIC NAME: 4-[(dimethylhydrazinylidene)methyl]-N,N-diethyl-aniline
MOLECULAR FORMULA: C13H21N3
MOLECULAR WEIGHT: 219.32594
SMILES: CCN(CC)C1=CC=C(C=C1)C=NN(C)C
Structure:
CAS RN: 51318-78-6
CAS Name: acetic acid [3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenyl] ester
OPENEYE Name: [3,5-diacetoxy-4-[3,5-diacetoxy-4-(3,4,5-triacetoxyphenoxy)phenoxy]phenyl] acetate
IUPAC Name: [3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenyl] acetate
SYSTEMATIC NAME: [3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenyl] ethanoate
MOLECULAR FORMULA: C34H30O18
MOLECULAR WEIGHT: 726.5912
SMILES: CC(=O)OC1=CC(=C(C(=C1)OC(=O)C)OC2=CC(=C(C(=C2)OC(=O)C)OC3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 51318-84-4
CAS Name: 1,3-dimethoxy-5-(2,4,6-trimethoxyphenoxy)-2-(3,4,5-trimethoxyphenoxy)benzene
OPENEYE Name: 1,3-dimethoxy-5-(2,4,6-trimethoxyphenoxy)-2-(3,4,5-trimethoxyphenoxy)benzene
IUPAC Name: 1,3-dimethoxy-5-(2,4,6-trimethoxyphenoxy)-2-(3,4,5-trimethoxyphenoxy)benzene
SYSTEMATIC NAME: 1,3-dimethoxy-5-(2,4,6-trimethoxyphenoxy)-2-(3,4,5-trimethoxyphenoxy)benzene
MOLECULAR FORMULA: C26H30O10
MOLECULAR WEIGHT: 502.5104
SMILES: COC1=CC(=C(C(=C1)OC)OC2=CC(=C(C(=C2)OC)OC3=CC(=C(C(=C3)OC)OC)OC)OC)OC
Structure:
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