Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-isobutyl-acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(2-methylpropyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2-methylpropyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(2-methylpropyl)ethanamide
MOLECULAR FORMULA: C20H26N2O
MOLECULAR WEIGHT: 310.43324
SMILES: CC(C)CNC(=O)CN(C)C(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: methyl 2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]acetate
CAS Name: 2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]acetic acid methyl ester
IUPAC NAME: methyl 2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]acetate
SYSTEMATIC NAME: methyl 2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]ethanoate
MOLECULAR FORMULA: C16H17N3O3S
MOLECULAR WEIGHT: 331.38948
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC(=O)OC
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-methoxyethyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(2-methoxyethyl)propanamide
MOLECULAR FORMULA: C15H21NO5
MOLECULAR WEIGHT: 295.33094
SMILES: C[C@@H](C(=O)NCCOC)OC1=C(C=C(C=C1)C(=O)C)OC
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Product OPENEYE NAME: ethyl (4R)-4-ethyl-6-[(6-methyl-4-oxo-chromene-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4R)-4-ethyl-6-[[(6-methyl-4-oxo-1-benzopyran-2-yl)-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-4-ethyl-6-[(6-methyl-4-oxochromene-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4R)-4-ethyl-6-[(6-methyl-4-oxidanylidene-chromen-2-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C21H22N2O7
MOLECULAR WEIGHT: 414.40858
SMILES: CC[C@@H]1C(=C(NC(=O)N1)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C)C(=O)OCC
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-methoxyethyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(2-methoxyethyl)propanamide
MOLECULAR FORMULA: C15H21NO5
MOLECULAR WEIGHT: 295.33094
SMILES: C[C@H](C(=O)NCCOC)OC1=C(C=C(C=C1)C(=O)C)OC
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Product OPENEYE NAME: ethyl (4S)-4-ethyl-6-[(6-methyl-4-oxo-chromene-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4S)-4-ethyl-6-[[(6-methyl-4-oxo-1-benzopyran-2-yl)-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-4-ethyl-6-[(6-methyl-4-oxochromene-2-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4S)-4-ethyl-6-[(6-methyl-4-oxidanylidene-chromen-2-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C21H22N2O7
MOLECULAR WEIGHT: 414.40858
SMILES: CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C)C(=O)OCC
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Product OPENEYE NAME: [2-(2-acetylanilino)-2-oxo-ethyl]-benzhydryl-methyl-ammonium
CAS Name: [2-(2-acetylanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: [2-(2-acetylanilino)-2-oxoethyl]-benzhydryl-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C24H25N2O2+
MOLECULAR WEIGHT: 373.4675
SMILES: CC(=O)C1=CC=CC=C1NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-(2-acetylphenyl)-2-[benzhydryl(methyl)amino]acetamide
CAS Name: N-(2-acetylphenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: N-(2-acetylphenyl)-2-[benzhydryl(methyl)amino]acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(2-ethanoylphenyl)ethanamide
MOLECULAR FORMULA: C24H24N2O2
MOLECULAR WEIGHT: 372.45956
SMILES: CC(=O)C1=CC=CC=C1NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[(2R)-2-methyl-1-piperidyl]ethanone
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-[(2R)-2-methyl-1-piperidinyl]ethanone
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone
MOLECULAR FORMULA: C19H23N3OS
MOLECULAR WEIGHT: 341.47042
SMILES: C[C@@H]1CCCCN1C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(3-bromophenyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-bromophenyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-bromophenyl)propanamide
SYSTEMATIC NAME: (2S)-N-(3-bromophenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H18BrNO4
MOLECULAR WEIGHT: 392.24382
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)Br)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2-bromophenyl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (2-bromophenyl)methyl ester
IUPAC NAME: (2-bromophenyl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (2-bromophenyl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H13BrO4
MOLECULAR WEIGHT: 373.19742
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=CC=CC=C3Br
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Product OPENEYE NAME: 7-bromo-2-[(4-fluorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CAS Name: 7-bromo-2-[[(4-fluorophenyl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone
IUPAC NAME: 7-bromo-2-[(4-fluorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 7-bromanyl-2-[(4-fluorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C15H10BrFN2OS
MOLECULAR WEIGHT: 365.220103
SMILES: C1=CC(=CC=C1F)SCC2=CC(=O)N3C=C(C=CC3=N2)Br
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[(2S)-2-methyl-1-piperidyl]ethanone
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-[(2S)-2-methyl-1-piperidinyl]ethanone
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
MOLECULAR FORMULA: C19H23N3OS
MOLECULAR WEIGHT: 341.47042
SMILES: C[C@H]1CCCCN1C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: (2-methoxyphenyl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (2-methoxyphenyl)methyl ester
IUPAC NAME: (2-methoxyphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (2-methoxyphenyl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H16O5
MOLECULAR WEIGHT: 324.32734
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=CC=CC=C3OC
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Product OPENEYE NAME: N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H25N3OS
MOLECULAR WEIGHT: 355.497
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(3-bromophenyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-bromophenyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(3-bromophenyl)propanamide
SYSTEMATIC NAME: (2R)-N-(3-bromophenyl)-2-(4-ethanoyl-2-methoxy-phenoxy)propanamide
MOLECULAR FORMULA: C18H18BrNO4
MOLECULAR WEIGHT: 392.24382
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)Br)OC2=C(C=C(C=C2)C(=O)C)OC
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