Tuesday, January 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(4-methyl-2,5-dioxo-4-phenyl-imidazolidin-1-yl)indane-5-carboxamide
CAS Name: N-(4-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)-2,3-dihydro-1H-indene-5-carboxamide
IUPAC NAME: N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2,3-dihydro-1H-indene-5-carboxamide
SYSTEMATIC NAME: N-[4-methyl-2,5-bis(oxidanylidene)-4-phenyl-imidazolidin-1-yl]-2,3-dihydro-1H-indene-5-carboxamide
MOLECULAR FORMULA: C20H19N3O3
MOLECULAR WEIGHT: 349.38316
SMILES: CC1(C(=O)N(C(=O)N1)NC(=O)C2=CC3=C(CCC3)C=C2)C4=CC=CC=C4
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Product OPENEYE NAME: 6-methyl-2-[4-(p-tolylsulfonyl)phenyl]-4,5-dihydropyridazin-3-one
CAS Name: 6-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]-4,5-dihydropyridazin-3-one
IUPAC NAME: 6-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]-4,5-dihydropyridazin-3-one
SYSTEMATIC NAME: 6-methyl-2-[4-(4-methylphenyl)sulfonylphenyl]-4,5-dihydropyridazin-3-one
MOLECULAR FORMULA: C18H18N2O3S
MOLECULAR WEIGHT: 342.41212
SMILES: CC1=NN(C(=O)CC1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 4-[3-(2-methoxy-5-methyl-phenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzoic acid
CAS Name: 4-[3-(2-methoxy-5-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzoic acid
IUPAC NAME: 4-[3-(2-methoxy-5-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzoic acid
SYSTEMATIC NAME: 4-[3-(2-methoxy-5-methyl-phenyl)-6-oxidanylidene-4,5-dihydropyridazin-1-yl]benzoic acid
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: CC1=CC(=C(C=C1)OC)C2=NN(C(=O)CC2)C3=CC=C(C=C3)C(=O)O
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Product OPENEYE NAME: 5-fluoro-3-[(4-methylpiperazin-1-yl)amino]indol-2-one
CAS Name: 5-fluoro-3-[(4-methyl-1-piperazinyl)amino]-2-indolone
IUPAC NAME: 5-fluoro-3-[(4-methylpiperazin-1-yl)amino]indol-2-one
SYSTEMATIC NAME: 5-fluoranyl-3-[(4-methylpiperazin-1-yl)amino]indol-2-one
MOLECULAR FORMULA: C13H15FN4O
MOLECULAR WEIGHT: 262.282803
SMILES: CN1CCN(CC1)NC2=C3C=C(C=CC3=NC2=O)F
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Product OPENEYE NAME: 2-(quinazolin-4-yloxymethyl)-1H-quinazolin-4-one
CAS Name: 2-(4-quinazolinyloxymethyl)-1H-quinazolin-4-one
IUPAC NAME: 2-(quinazolin-4-yloxymethyl)-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-(quinazolin-4-yloxymethyl)-1H-quinazolin-4-one
MOLECULAR FORMULA: C17H12N4O2
MOLECULAR WEIGHT: 304.30278
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)COC3=NC=NC4=CC=CC=C43
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Product OPENEYE NAME: N-tetralin-1-ylpyrimidin-2-amine
CAS Name: N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyrimidinamine
IUPAC NAME: N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
SYSTEMATIC NAME: N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
MOLECULAR FORMULA: C14H15N3
MOLECULAR WEIGHT: 225.289
SMILES: C1CC(C2=CC=CC=C2C1)NC3=NC=CC=N3
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Product OPENEYE NAME: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2,2-dichloro-1-methyl-cyclopropanecarboxylate
CAS Name: 2,2-dichloro-1-methyl-1-cyclopropanecarboxylic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester
IUPAC NAME: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,2-dichloro-1-methylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2,2-bis(chloranyl)-1-methyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C15H14Cl2N2O3
MOLECULAR WEIGHT: 341.18926
SMILES: CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3(CC3(Cl)Cl)C
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Product OPENEYE NAME: N'-(cyclopropanecarbonyl)-2-methylsulfanyl-pyridine-3-carbohydrazide
CAS Name: N'-[cyclopropyl(oxo)methyl]-2-(methylthio)-3-pyridinecarbohydrazide
IUPAC NAME: N'-(cyclopropanecarbonyl)-2-methylsulfanylpyridine-3-carbohydrazide
SYSTEMATIC NAME: N'-cyclopropylcarbonyl-2-methylsulfanyl-pyridine-3-carbohydrazide
MOLECULAR FORMULA: C11H13N3O2S
MOLECULAR WEIGHT: 251.30482
SMILES: CSC1=C(C=CC=N1)C(=O)NNC(=O)C2CC2
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Product OPENEYE NAME: N-cyclohexyl-3,4-dimethoxy-N-methyl-benzamide
CAS Name: N-cyclohexyl-3,4-dimethoxy-N-methylbenzamide
IUPAC NAME: N-cyclohexyl-3,4-dimethoxy-N-methylbenzamide
SYSTEMATIC NAME: N-cyclohexyl-3,4-dimethoxy-N-methyl-benzamide
MOLECULAR FORMULA: C16H23NO3
MOLECULAR WEIGHT: 277.35872
SMILES: CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)OC)OC
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Product OPENEYE NAME: N-cyclohexyl-N,1-dimethyl-pyrrole-2-carboxamide
CAS Name: N-cyclohexyl-N,1-dimethyl-2-pyrrolecarboxamide
IUPAC NAME: N-cyclohexyl-N,1-dimethylpyrrole-2-carboxamide
SYSTEMATIC NAME: N-cyclohexyl-N,1-dimethyl-pyrrole-2-carboxamide
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: CN1C=CC=C1C(=O)N(C)C2CCCCC2
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Product OPENEYE NAME: (2-methylsulfanyl-3-pyridyl)-morpholino-methanone
CAS Name: [2-(methylthio)-3-pyridinyl]-(4-morpholinyl)methanone
IUPAC NAME: (2-methylsulfanylpyridin-3-yl)-morpholin-4-ylmethanone
SYSTEMATIC NAME: (2-methylsulfanylpyridin-3-yl)-morpholin-4-yl-methanone
MOLECULAR FORMULA: C11H14N2O2S
MOLECULAR WEIGHT: 238.30606
SMILES: CSC1=C(C=CC=N1)C(=O)N2CCOCC2
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Product OPENEYE NAME: ethyl 3-[[(E)-styryl]sulfonylamino]propanoate
CAS Name: 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
SYSTEMATIC NAME: ethyl 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
MOLECULAR FORMULA: C13H17NO4S
MOLECULAR WEIGHT: 283.34338
SMILES: CCOC(=O)CCNS(=O)(=O)/C=C/C1=CC=CC=C1
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Product OPENEYE NAME: 5-(4-methoxyphenyl)-5-methyl-3-(2-methylallyl)imidazolidine-2,4-dione
CAS Name: 5-(4-methoxyphenyl)-5-methyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
IUPAC NAME: 5-(4-methoxyphenyl)-5-methyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-5-methyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: CC(=C)CN1C(=O)C(NC1=O)(C)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(1-tetrazolyl)phenoxy]ethanone
IUPAC NAME: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(tetrazol-1-yl)phenoxy]ethanone
SYSTEMATIC NAME: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(1,2,3,4-tetrazol-1-yl)phenoxy]ethanone
MOLECULAR FORMULA: C17H17N5O3
MOLECULAR WEIGHT: 339.34858
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)COC2=CC=C(C=C2)N3C=NN=N3
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Product OPENEYE NAME: N-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-acetamide
CAS Name: N-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
IUPAC NAME: N-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
SYSTEMATIC NAME: N-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-ethanamide
MOLECULAR FORMULA: C17H23NO3
MOLECULAR WEIGHT: 289.36942
SMILES: CN(C1CCCCC1)C(=O)CC2=CC3=C(C=C2)OCCO3
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Product OPENEYE NAME: N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzamide
CAS Name: N-cyclohexyl-N-methyl-4-(1-tetrazolyl)benzamide
IUPAC NAME: N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzamide
SYSTEMATIC NAME: N-cyclohexyl-N-methyl-4-(1,2,3,4-tetrazol-1-yl)benzamide
MOLECULAR FORMULA: C15H19N5O
MOLECULAR WEIGHT: 285.34426
SMILES: CN(C1CCCCC1)C(=O)C2=CC=C(C=C2)N3C=NN=N3
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