CAS RN: 6355-52-8
CAS Name: N-[1-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]ethylideneamino]benzamide
OPENEYE Name: N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
IUPAC Name: N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
SYSTEMATIC NAME: N-[1-[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]ethylideneamino]benzamide
MOLECULAR FORMULA: C17H14F3N3O2
MOLECULAR WEIGHT: 349.30717
SMILES: CC(=NNC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C(F)(F)F
Structure:
CAS RN: 499187-53-0
CAS Name: 2-ethynyl-5-methyl-1-oxidopyridin-1-ium
OPENEYE Name: 2-ethynyl-5-methyl-1-oxido-pyridin-1-ium
IUPAC Name: 2-ethynyl-5-methyl-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 2-ethynyl-5-methyl-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C8H7NO
MOLECULAR WEIGHT: 133.14728
SMILES: CC1=C[N+](=C(C=C1)C#C)[O-]
Structure:
CAS RN: 61904-55-0
CAS Name: 2-(4-ethoxyphenyl)acetohydrazide
OPENEYE Name: 2-(4-ethoxyphenyl)acetohydrazide
IUPAC Name: 2-(4-ethoxyphenyl)acetohydrazide
SYSTEMATIC NAME: 2-(4-ethoxyphenyl)ethanehydrazide
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CCOC1=CC=C(C=C1)CC(=O)NN
Structure:
CAS RN: 49681-96-1
CAS Name: 6-bromo-2-sulfanylidene-1H-quinazolin-4-one
OPENEYE Name: 6-bromo-2-thioxo-1H-quinazolin-4-one
IUPAC Name: 6-bromo-2-sulfanylidene-1H-quinazolin-4-one
SYSTEMATIC NAME: 6-bromanyl-2-sulfanylidene-1H-quinazolin-4-one
MOLECULAR FORMULA: C8H5BrN2OS
MOLECULAR WEIGHT: 257.1071
SMILES: C1=CC2=C(C=C1Br)C(=O)NC(=S)N2
Structure:
CAS RN: 33017-85-5
CAS Name: 6-chloro-2-sulfanylidene-1H-quinazolin-4-one
OPENEYE Name: 6-chloro-2-thioxo-1H-quinazolin-4-one
IUPAC Name: 6-chloro-2-sulfanylidene-1H-quinazolin-4-one
SYSTEMATIC NAME: 6-chloranyl-2-sulfanylidene-1H-quinazolin-4-one
MOLECULAR FORMULA: C8H5ClN2OS
MOLECULAR WEIGHT: 212.6561
SMILES: C1=CC2=C(C=C1Cl)C(=O)NC(=S)N2
Structure:
CAS RN: 23590-99-0
CAS Name: (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propanal
OPENEYE Name: (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propanal
IUPAC Name: (2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propanal
SYSTEMATIC NAME: (2R)-3-oxidanyl-2-[(1R)-2-oxidanylidene-1-(6-oxidanylidene-3H-purin-9-yl)ethoxy]propanal
MOLECULAR FORMULA: C10H10N4O5
MOLECULAR WEIGHT: 266.2102
SMILES: C1=NC(=O)C2=C(N1)N(C=N2)[C@@H](C=O)O[C@H](CO)C=O
Structure:
CAS RN: 23590-99-0
CAS Name: (2S)-3-hydroxy-2-[(1S)-2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propanal
OPENEYE Name: (2S)-3-hydroxy-2-[(1S)-2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propanal
IUPAC Name: (2S)-3-hydroxy-2-[(1S)-2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propanal
SYSTEMATIC NAME: (2S)-3-oxidanyl-2-[(1S)-2-oxidanylidene-1-(6-oxidanylidene-3H-purin-9-yl)ethoxy]propanal
MOLECULAR FORMULA: C10H10N4O5
MOLECULAR WEIGHT: 266.2102
SMILES: C1=NC(=O)C2=C(N1)N(C=N2)[C@H](C=O)O[C@@H](CO)C=O
Structure:
CAS RN: 350990-21-5
CAS Name: 2,3-dimethyl-1-(phenylmethyl)-5-indolecarbohydrazide
OPENEYE Name: 1-benzyl-2,3-dimethyl-indole-5-carbohydrazide
IUPAC Name: 1-benzyl-2,3-dimethylindole-5-carbohydrazide
SYSTEMATIC NAME: 2,3-dimethyl-1-(phenylmethyl)indole-5-carbohydrazide
MOLECULAR FORMULA: C18H19N3O
MOLECULAR WEIGHT: 293.36296
SMILES: CC1=C(N(C2=C1C=C(C=C2)C(=O)NN)CC3=CC=CC=C3)C
Structure:
CAS RN: 61381-04-2
CAS Name: 2-(3,4-diethoxyphenyl)ethanamine
OPENEYE Name: 2-(3,4-diethoxyphenyl)ethanamine
IUPAC Name: 2-(3,4-diethoxyphenyl)ethanamine
SYSTEMATIC NAME: 2-(3,4-diethoxyphenyl)ethanamine
MOLECULAR FORMULA: C12H19NO2
MOLECULAR WEIGHT: 209.28476
SMILES: CCOC1=C(C=C(C=C1)CCN)OCC
Structure:
CAS RN: 73901-14-1
CAS Name: 6-ethoxy-3-methyl-1,3-benzothiazol-2-imine
OPENEYE Name: 6-ethoxy-3-methyl-1,3-benzothiazol-2-imine
IUPAC Name: 6-ethoxy-3-methyl-1,3-benzothiazol-2-imine
SYSTEMATIC NAME: 6-ethoxy-3-methyl-1,3-benzothiazol-2-imine
MOLECULAR FORMULA: C10H12N2OS
MOLECULAR WEIGHT: 208.28008
SMILES: CCOC1=CC2=C(C=C1)N(C(=N)S2)C
Structure:
CAS RN: 83256-18-2
CAS Name: (E)-2-(2,6-dimethoxy-5-nitro-4-pyrimidinyl)-N,N-dimethylethenamine
OPENEYE Name: (E)-2-(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)-N,N-dimethyl-ethenamine
IUPAC Name: (E)-2-(2,6-dimethoxy-5-nitropyrimidin-4-yl)-N,N-dimethylethenamine
SYSTEMATIC NAME: (E)-2-(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)-N,N-dimethyl-ethenamine
MOLECULAR FORMULA: C10H14N4O4
MOLECULAR WEIGHT: 254.24256
SMILES: CN(C)/C=C/C1=C(C(=NC(=N1)OC)OC)[N+](=O)[O-]
Structure:
CAS RN: 5491-16-7
CAS Name: 2-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
OPENEYE Name: 2-[(indan-5-ylamino)methylene]-5,5-dimethyl-cyclohexane-1,3-dione
IUPAC Name: 2-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-5,5-dimethyl-cyclohexane-1,3-dione
MOLECULAR FORMULA: C18H21NO2
MOLECULAR WEIGHT: 283.36484
SMILES: CC1(CC(=O)C(=CNC2=CC3=C(CCC3)C=C2)C(=O)C1)C
Structure:
CAS RN: 39868-10-5
CAS Name: 5-(3-bromophenyl)-2-furancarboxaldehyde
OPENEYE Name: 5-(3-bromophenyl)furan-2-carbaldehyde
IUPAC Name: 5-(3-bromophenyl)furan-2-carbaldehyde
SYSTEMATIC NAME: 5-(3-bromophenyl)furan-2-carbaldehyde
MOLECULAR FORMULA: C11H7BrO2
MOLECULAR WEIGHT: 251.07608
SMILES: C1=CC(=CC(=C1)Br)C2=CC=C(O2)C=O
Structure:
CAS RN: 23611-68-9
CAS Name: 6,8-dibromo-2-sulfanylidene-1,3-benzoxazin-4-one
OPENEYE Name: 6,8-dibromo-2-thioxo-1,3-benzoxazin-4-one
IUPAC Name: 6,8-dibromo-2-sulfanylidene-1,3-benzoxazin-4-one
SYSTEMATIC NAME: 6,8-bis(bromanyl)-2-sulfanylidene-1,3-benzoxazin-4-one
MOLECULAR FORMULA: C8H3Br2NO2S
MOLECULAR WEIGHT: 336.98792
SMILES: C1=C(C=C2C(=C1Br)OC(=S)NC2=O)Br
Structure:
CAS RN: 74728-65-7
CAS Name: 1-methyl-6-indazolamine
OPENEYE Name: 1-methylindazol-6-amine
IUPAC Name: 1-methylindazol-6-amine
SYSTEMATIC NAME: 1-methylindazol-6-amine
MOLECULAR FORMULA: C8H9N3
MOLECULAR WEIGHT: 147.17716
SMILES: CN1C2=C(C=CC(=C2)N)C=N1
Structure:
CAS RN: 2983-74-6
CAS Name: cyanic acid (4-methoxyphenyl) ester
OPENEYE Name: (4-methoxyphenyl) cyanate
IUPAC Name: (4-methoxyphenyl) cyanate
SYSTEMATIC NAME: (4-methoxyphenyl) cyanate
MOLECULAR FORMULA: C8H7NO2
MOLECULAR WEIGHT: 149.14668
SMILES: COC1=CC=C(C=C1)OC#N
Structure:
CAS RN: 5539-12-8
CAS Name: N-(2-methylphenyl)-2-pyrazinecarboxamide
OPENEYE Name: N-(o-tolyl)pyrazine-2-carboxamide
IUPAC Name: N-(2-methylphenyl)pyrazine-2-carboxamide
SYSTEMATIC NAME: N-(2-methylphenyl)pyrazine-2-carboxamide
MOLECULAR FORMULA: C12H11N3O
MOLECULAR WEIGHT: 213.23524
SMILES: CC1=CC=CC=C1NC(=O)C2=NC=CN=C2
Structure:
CAS RN: 56149-30-5
CAS Name: 2-chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
OPENEYE Name: 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
IUPAC Name: 2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide
SYSTEMATIC NAME: 2-chloranyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C13H11ClN2O2
MOLECULAR WEIGHT: 262.69164
SMILES: COC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl
Structure:
CAS RN: 5522-48-5
CAS Name: N-(3-methyl-2-pyridinyl)-3-phenylpropanamide
OPENEYE Name: N-(3-methyl-2-pyridyl)-3-phenyl-propanamide
IUPAC Name: N-(3-methylpyridin-2-yl)-3-phenylpropanamide
SYSTEMATIC NAME: N-(3-methylpyridin-2-yl)-3-phenyl-propanamide
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: CC1=C(N=CC=C1)NC(=O)CCC2=CC=CC=C2
Structure:
CAS RN: 5566-00-7
CAS Name: N-(3,5-dimethylphenyl)-2-methoxybenzamide
OPENEYE Name: N-(3,5-dimethylphenyl)-2-methoxy-benzamide
IUPAC Name: N-(3,5-dimethylphenyl)-2-methoxybenzamide
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-2-methoxy-benzamide
MOLECULAR FORMULA: C16H17NO2
MOLECULAR WEIGHT: 255.31168
SMILES: CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2OC)C
Structure:
CAS RN: 50602-38-5
CAS Name: 2-acetamido-4-thiazolecarboxylic acid
OPENEYE Name: 2-acetamidothiazole-4-carboxylic acid
IUPAC Name: 2-acetamido-1,3-thiazole-4-carboxylic acid
SYSTEMATIC NAME: 2-acetamido-1,3-thiazole-4-carboxylic acid
MOLECULAR FORMULA: C6H6N2O3S
MOLECULAR WEIGHT: 186.18844
SMILES: CC(=O)NC1=NC(=CS1)C(=O)O
Structure:
CAS RN: 5709-89-7
CAS Name: 2-[(4-fluorophenyl)methyl]-5-nitro-3-pyrazolecarboxylic acid
OPENEYE Name: 2-[(4-fluorophenyl)methyl]-5-nitro-pyrazole-3-carboxylic acid
IUPAC Name: 2-[(4-fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid
SYSTEMATIC NAME: 2-[(4-fluorophenyl)methyl]-5-nitro-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C11H8FN3O4
MOLECULAR WEIGHT: 265.197323
SMILES: C1=CC(=CC=C1CN2C(=CC(=N2)[N+](=O)[O-])C(=O)O)F
Structure:
CAS RN: 118452-04-3
CAS Name: 2-amino-4-thiazolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-aminothiazole-4-carboxylate
IUPAC Name: methyl 2-amino-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C5H6N2O2S
MOLECULAR WEIGHT: 158.17834
SMILES: COC(=O)C1=CSC(=N1)N
Structure:
CAS RN: 5659-88-1
CAS Name: (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3-one
OPENEYE Name: (2Z)-2-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]benzothiophen-3-one
IUPAC Name: (2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3-one
SYSTEMATIC NAME: (2Z)-2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one
MOLECULAR FORMULA: C17H14O4S
MOLECULAR WEIGHT: 314.35566
SMILES: COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)C3=CC=CC=C3S2
Structure:
CAS RN: 5587-09-7
CAS Name: 3,4-dimethoxy-N-[(1-propyl-4-piperidinylidene)amino]benzamide
OPENEYE Name: 3,4-dimethoxy-N-[(1-propyl-4-piperidylidene)amino]benzamide
IUPAC Name: 3,4-dimethoxy-N-[(1-propylpiperidin-4-ylidene)amino]benzamide
SYSTEMATIC NAME: 3,4-dimethoxy-N-[(1-propylpiperidin-4-ylidene)amino]benzamide
MOLECULAR FORMULA: C17H25N3O3
MOLECULAR WEIGHT: 319.3987
SMILES: CCCN1CCC(=NNC(=O)C2=CC(=C(C=C2)OC)OC)CC1
Structure:
CAS RN: 6455-56-7
CAS Name: 3-methyl-1-oxo-2-[(3-pyridinylamino)methylidene]-4-pyrido[1,2-a]benzimidazolecarbonitrile
OPENEYE Name: 3-methyl-1-oxo-2-[(3-pyridylamino)methylene]pyrido[1,2-a]benzimidazole-4-carbonitrile
IUPAC Name: 3-methyl-1-oxo-2-[(pyridin-3-ylamino)methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile
SYSTEMATIC NAME: 3-methyl-1-oxidanylidene-2-[(pyridin-3-ylamino)methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile
MOLECULAR FORMULA: C19H13N5O
MOLECULAR WEIGHT: 327.33942
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNC4=CN=CC=C4)C#N
Structure:
CAS RN: 85592-12-7
CAS Name: 4,7-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione
OPENEYE Name: 4,7-dimethyl-6-phenyl-purino[7,8-a]imidazole-1,3-dione
IUPAC Name: 4,7-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione
SYSTEMATIC NAME: 4,7-dimethyl-6-phenyl-purino[7,8-a]imidazole-1,3-dione
MOLECULAR FORMULA: C15H13N5O2
MOLECULAR WEIGHT: 295.29602
SMILES: CC1=CN2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)NC3=O)C
Structure:
CAS RN: 70796-18-8
CAS Name: 5-chloro-2-[(1-oxo-2-phenoxyethyl)amino]benzoic acid
OPENEYE Name: 5-chloro-2-[(2-phenoxyacetyl)amino]benzoic acid
IUPAC Name: 5-chloro-2-[(2-phenoxyacetyl)amino]benzoic acid
SYSTEMATIC NAME: 5-chloranyl-2-(2-phenoxyethanoylamino)benzoic acid
MOLECULAR FORMULA: C15H12ClNO4
MOLECULAR WEIGHT: 305.71308
SMILES: C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O
Structure:
CAS RN: 4121-54-4
CAS Name: 5-[(5-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
OPENEYE Name: 5-[(5-chloro-2-pyridyl)amino]-5-oxo-pentanoic acid
IUPAC Name: 5-[(5-chloropyridin-2-yl)amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(5-chloranylpyridin-2-yl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C10H11ClN2O3
MOLECULAR WEIGHT: 242.65894
SMILES: C1=CC(=NC=C1Cl)NC(=O)CCCC(=O)O
Structure:
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