Thursday, July 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-[[(Z)-3-oxo-1-phenyl-but-1-enyl]amino]benzoate
CAS Name: 2-[[(Z)-3-oxo-1-phenylbut-1-enyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 2-[[(Z)-3-oxo-1-phenylbut-1-enyl]amino]benzoate
SYSTEMATIC NAME: methyl 2-[[(Z)-3-oxidanylidene-1-phenyl-but-1-enyl]amino]benzoate
MOLECULAR FORMULA: C18H17NO3
MOLECULAR WEIGHT: 295.33248
SMILES: CC(=O)/C=C(/C1=CC=CC=C1)\NC2=CC=CC=C2C(=O)OC
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Product OPENEYE NAME: 5-(2,5-dioxocyclopentyl)-5-hydroxy-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-(2,5-dioxocyclopentyl)-5-hydroxy-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-(2,5-dioxocyclopentyl)-5-hydroxy-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[2,5-bis(oxidanylidene)cyclopentyl]-5-oxidanyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C9H8N2O6
MOLECULAR WEIGHT: 240.16962
SMILES: C1CC(=O)C(C1=O)C2(C(=O)NC(=O)NC2=O)O
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Product OPENEYE NAME: 5-(2,6-dioxocyclohexyl)-5-hydroxy-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-(2,6-dioxocyclohexyl)-5-hydroxy-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-(2,6-dioxocyclohexyl)-5-hydroxy-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[2,6-bis(oxidanylidene)cyclohexyl]-5-oxidanyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C10H10N2O6
MOLECULAR WEIGHT: 254.1962
SMILES: C1CC(=O)C(C(=O)C1)C2(C(=O)NC(=O)NC2=O)O
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Product OPENEYE NAME: 1',3'-dioxospiro[4aH-[1,3]oxazino[3,2-a]quinoline-3,2'-indane]-2-carbaldehyde
CAS Name: 1',3'-dioxo-2-spiro[4aH-[1,3]oxazino[3,2-a]quinoline-3,2'-indene]carboxaldehyde
IUPAC NAME: 1',3'-dioxospiro[4aH-[1,3]oxazino[3,2-a]quinoline-3,2'-indene]-2-carbaldehyde
SYSTEMATIC NAME: 1',3'-bis(oxidanylidene)spiro[4aH-[1,3]oxazino[3,2-a]quinoline-3,2'-indene]-2-carbaldehyde
MOLECULAR FORMULA: C21H13NO4
MOLECULAR WEIGHT: 343.33222
SMILES: C1=CC=C2C(=C1)C=CC3N2C=C(C4(O3)C(=O)C5=CC=CC=C5C4=O)C=O
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Product OPENEYE NAME: 8-methoxy-1',3'-dioxo-spiro[4aH-[1,3]oxazino[3,2-a]quinoline-3,2'-indane]-2-carbaldehyde
CAS Name: 8-methoxy-1',3'-dioxo-2-spiro[4aH-[1,3]oxazino[3,2-a]quinoline-3,2'-indene]carboxaldehyde
IUPAC NAME: 8-methoxy-1',3'-dioxospiro[4aH-[1,3]oxazino[3,2-a]quinoline-3,2'-indene]-2-carbaldehyde
SYSTEMATIC NAME: 8-methoxy-1',3'-bis(oxidanylidene)spiro[4aH-[1,3]oxazino[3,2-a]quinoline-3,2'-indene]-2-carbaldehyde
MOLECULAR FORMULA: C22H15NO5
MOLECULAR WEIGHT: 373.3582
SMILES: COC1=CC2=C(C=C1)N3C=C(C4(C(=O)C5=CC=CC=C5C4=O)OC3C=C2)C=O
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Product OPENEYE NAME: 2',4',6'-trioxospiro[4aH-[1,3]oxazino[3,2-a]quinoline-3,5'-hexahydropyrimidine]-2-carbaldehyde
CAS Name: 2,4,6-trioxo-2'-spiro[1,3-diazinane-5,3'-4aH-[1,3]oxazino[3,2-a]quinoline]carboxaldehyde
IUPAC NAME: 2,4,6-trioxospiro[1,3-diazinane-5,3'-4aH-[1,3]oxazino[3,2-a]quinoline]-2'-carbaldehyde
SYSTEMATIC NAME: 2,4,6-tris(oxidanylidene)spiro[1,3-diazinane-5,3'-4aH-[1,3]oxazino[3,2-a]quinoline]-2'-carbaldehyde
MOLECULAR FORMULA: C16H11N3O5
MOLECULAR WEIGHT: 325.27564
SMILES: C1=CC=C2C(=C1)C=CC3N2C=C(C4(O3)C(=O)NC(=O)NC4=O)C=O
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Product OPENEYE NAME: 8-methoxy-2',4',6'-trioxo-spiro[4aH-[1,3]oxazino[3,2-a]quinoline-3,5'-hexahydropyrimidine]-2-carbaldehyde
CAS Name: 8'-methoxy-2,4,6-trioxo-2'-spiro[1,3-diazinane-5,3'-4aH-[1,3]oxazino[3,2-a]quinoline]carboxaldehyde
IUPAC NAME: 8'-methoxy-2,4,6-trioxospiro[1,3-diazinane-5,3'-4aH-[1,3]oxazino[3,2-a]quinoline]-2'-carbaldehyde
SYSTEMATIC NAME: 8'-methoxy-2,4,6-tris(oxidanylidene)spiro[1,3-diazinane-5,3'-4aH-[1,3]oxazino[3,2-a]quinoline]-2'-carbaldehyde
MOLECULAR FORMULA: C17H13N3O6
MOLECULAR WEIGHT: 355.30162
SMILES: COC1=CC2=C(C=C1)N3C=C(C4(C(=O)NC(=O)NC4=O)OC3C=C2)C=O
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Product OPENEYE NAME: N-[5-[(Z)-1-carbamoyl-2-phenyl-vinyl]-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: N-[5-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: N-[5-[(Z)-3-amino-3-oxo-1-phenylprop-1-en-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: N-[5-[(Z)-3-azanyl-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C18H14N4O2S
MOLECULAR WEIGHT: 350.39436
SMILES: C1=CC=C(C=C1)/C=C(\C2=NN=C(S2)NC(=O)C3=CC=CC=C3)/C(=O)N
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Product OPENEYE NAME: (2Z)-N-anilino-5-benzamido-1,3,4-thiadiazole-2-carboximidoyl cyanide
CAS Name: N-[5-[(Z)-cyano-(phenylhydrazinylidene)methyl]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: (2Z)-N-anilino-5-benzamido-1,3,4-thiadiazole-2-carboximidoyl cyanide
SYSTEMATIC NAME: N-[5-[(Z)-C-cyano-N-phenylazanyl-carbonimidoyl]-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C17H12N6OS
MOLECULAR WEIGHT: 348.38178
SMILES: C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)/C(=N\NC3=CC=CC=C3)/C#N
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Product OPENEYE NAME: N-[5-[(Z)-1-cyano-2-phenyl-vinyl]-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: N-[5-[(Z)-1-cyano-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: N-[5-[(Z)-1-cyano-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: N-[5-[(Z)-1-cyano-2-phenyl-ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C18H12N4OS
MOLECULAR WEIGHT: 332.37908
SMILES: C1=CC=C(C=C1)/C=C(/C#N)\C2=NN=C(S2)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[5-[(Z)-2-(4-chlorophenyl)-1-cyano-vinyl]-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: N-[5-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: N-[5-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: N-[5-[(Z)-2-(4-chlorophenyl)-1-cyano-ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C18H11ClN4OS
MOLECULAR WEIGHT: 366.82414
SMILES: C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)/C(=C\C3=CC=C(C=C3)Cl)/C#N
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Product OPENEYE NAME: 1,7-dimethyl-2,9-dihydropyrimido[5,4-g][1,2,4]benzotriazine-6,8-dione
CAS Name: 1,7-dimethyl-2,9-dihydropyrimido[5,4-g][1,2,4]benzotriazine-6,8-dione
IUPAC NAME: 1,7-dimethyl-2,9-dihydropyrimido[5,4-g][1,2,4]benzotriazine-6,8-dione
SYSTEMATIC NAME: 1,7-dimethyl-2,9-dihydropyrimido[5,4-g][1,2,4]benzotriazine-6,8-dione
MOLECULAR FORMULA: C11H11N5O2
MOLECULAR WEIGHT: 245.23734
SMILES: CN1C2=C(C=C3C(=C2)NC(=O)N(C3=O)C)N=CN1
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Product OPENEYE NAME: 7-hydrazino-1,3-dimethyl-6-nitro-quinazoline-2,4-dione
CAS Name: 7-hydrazinyl-1,3-dimethyl-6-nitroquinazoline-2,4-dione
IUPAC NAME: 7-hydrazinyl-1,3-dimethyl-6-nitroquinazoline-2,4-dione
SYSTEMATIC NAME: 7-diazanyl-1,3-dimethyl-6-nitro-quinazoline-2,4-dione
MOLECULAR FORMULA: C10H11N5O4
MOLECULAR WEIGHT: 265.22544
SMILES: CN1C2=CC(=C(C=C2C(=O)N(C1=O)C)[N+](=O)[O-])NN
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Product OPENEYE NAME: N-[(1,3-dimethyl-6-nitro-2,4-dioxo-quinazolin-7-yl)amino]formamide
CAS Name: N-[(1,3-dimethyl-6-nitro-2,4-dioxo-7-quinazolinyl)amino]formamide
IUPAC NAME: N-[(1,3-dimethyl-6-nitro-2,4-dioxoquinazolin-7-yl)amino]formamide
SYSTEMATIC NAME: N-[[1,3-dimethyl-6-nitro-2,4-bis(oxidanylidene)quinazolin-7-yl]amino]methanamide
MOLECULAR FORMULA: C11H11N5O5
MOLECULAR WEIGHT: 293.23554
SMILES: CN1C2=CC(=C(C=C2C(=O)N(C1=O)C)[N+](=O)[O-])NNC=O
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Product OPENEYE NAME: 5,7-dimethyl-1H-imidazo[4,5-g]quinazoline-6,8-dione
CAS Name: 5,7-dimethyl-1H-imidazo[4,5-g]quinazoline-6,8-dione
IUPAC NAME: 5,7-dimethyl-1H-imidazo[4,5-g]quinazoline-6,8-dione
SYSTEMATIC NAME: 5,7-dimethyl-1H-imidazo[4,5-g]quinazoline-6,8-dione
MOLECULAR FORMULA: C11H10N4O2
MOLECULAR WEIGHT: 230.2227
SMILES: CN1C2=CC3=C(C=C2C(=O)N(C1=O)C)NC=N3
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