Sunday, February 24, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C15H17N3O5
MOLECULAR WEIGHT: 319.31258
SMILES: C[C@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)OC(=O)[C@@H]3CCCO3
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Product OPENEYE NAME: 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethyl-thiourea
CAS Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethylthiourea
IUPAC NAME: 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethylthiourea
SYSTEMATIC NAME: 1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethyl-thiourea
MOLECULAR FORMULA: C15H24N2O2S
MOLECULAR WEIGHT: 296.42826
SMILES: CCNC(=S)NCCC1=CC(=C(C=C1)OCC)OCC
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Product OPENEYE NAME: 1-[(2S)-2-methylindolin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C22H21N3OS
MOLECULAR WEIGHT: 375.48664
SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4
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Product OPENEYE NAME: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H14O7
MOLECULAR WEIGHT: 366.32096
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C15H17N3O5
MOLECULAR WEIGHT: 319.31258
SMILES: C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)OC(=O)[C@H]3CCCO3
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Product OPENEYE NAME: [2-(butylamino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(butylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(butylamino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-(butylamino)-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C16H26N3O2+
MOLECULAR WEIGHT: 292.39654
SMILES: CCCCNC(=O)C[NH+](C)CC(=O)NC1=CC=C(C=C1)C
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Product OPENEYE NAME: N-butyl-2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]acetamide
CAS Name: N-butyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
IUPAC NAME: N-butyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
SYSTEMATIC NAME: N-butyl-2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanamide
MOLECULAR FORMULA: C16H25N3O2
MOLECULAR WEIGHT: 291.3886
SMILES: CCCCNC(=O)CN(C)CC(=O)NC1=CC=C(C=C1)C
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Product OPENEYE NAME: 1-benzyl-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea
CAS Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(phenylmethyl)thiourea
IUPAC NAME: 1-benzyl-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea
SYSTEMATIC NAME: 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(phenylmethyl)thiourea
MOLECULAR FORMULA: C20H26N2O2S
MOLECULAR WEIGHT: 358.49764
SMILES: CCOC1=C(C=C(C=C1)CCNC(=S)NCC2=CC=CC=C2)OCC
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Product OPENEYE NAME: N-cyclopropyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-cyclopropyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-cyclopropyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-cyclopropyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C16H17N3OS
MOLECULAR WEIGHT: 299.39068
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3CC3
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