Sunday, February 24, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(3-chloro-2-methyl-phenyl)-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea
CAS Name: 1-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-3-[[(2R)-2-oxolanyl]methyl]thiourea
IUPAC NAME: 1-(3-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(3-chloranyl-2-methyl-phenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea
MOLECULAR FORMULA: C14H19ClN4OS2
MOLECULAR WEIGHT: 358.90986
SMILES: CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NC[C@H]2CCCO2
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Product OPENEYE NAME: [(1S)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)[C@@H]3CCCO3
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Product OPENEYE NAME: 1-(5-chloro-2-thienyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-(5-chloro-2-thiophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-(5-chlorothiophen-2-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-(5-chloranylthiophen-2-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C17H13ClN2OS2
MOLECULAR WEIGHT: 360.88092
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC=C(S3)Cl
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Product OPENEYE NAME: [2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@H](C)C(C)C
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Product OPENEYE NAME: N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[2-(4-fluorophenyl)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H20FN3OS
MOLECULAR WEIGHT: 381.466403
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCC3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1R)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)[C@@H]3CCCO3
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Product OPENEYE NAME: benzhydryl-[2-[[2-(2,3-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C26H30N3O2+
MOLECULAR WEIGHT: 416.5353
SMILES: CC1=C(C(=CC=C1)NC(=O)CNC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CAS Name: N-(2,3-dimethylphenyl)-2-[[2-[(diphenylmethyl)-methylamino]-1-oxoethyl]amino]acetamide
IUPAC NAME: 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SYSTEMATIC NAME: N-(2,3-dimethylphenyl)-2-[2-[(diphenylmethyl)-methyl-amino]ethanoylamino]ethanamide
MOLECULAR FORMULA: C26H29N3O2
MOLECULAR WEIGHT: 415.52736
SMILES: CC1=C(C(=CC=C1)NC(=O)CNC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3)C
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Product OPENEYE NAME: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H13ClN2O5
MOLECULAR WEIGHT: 396.78062
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(4-fluorophenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H18FN3OS
MOLECULAR WEIGHT: 367.439823
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1S)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)[C@H]3CCCO3
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Product OPENEYE NAME: N-(2-chloro-4-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-chloro-4-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-chloranyl-4-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H15ClN4O3S
MOLECULAR WEIGHT: 414.8654
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
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Product OPENEYE NAME: [(1R)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)[C@H]3CCCO3
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Product OPENEYE NAME: benzhydryl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C25H28N3O2+
MOLECULAR WEIGHT: 402.50872
SMILES: C[NH+](CC(=O)NC1=CC=C(C=C1)C(=O)N(C)C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[[2-[benzhydryl(methyl)amino]acetyl]amino]-N,N-dimethyl-benzamide
CAS Name: 4-[[2-[(diphenylmethyl)-methylamino]-1-oxoethyl]amino]-N,N-dimethylbenzamide
IUPAC NAME: 4-[[2-[benzhydryl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
SYSTEMATIC NAME: 4-[2-[(diphenylmethyl)-methyl-amino]ethanoylamino]-N,N-dimethyl-benzamide
MOLECULAR FORMULA: C25H27N3O2
MOLECULAR WEIGHT: 401.50078
SMILES: CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H16N2O5
MOLECULAR WEIGHT: 376.36214
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)NC3=CC=CC=C3C#N
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Product OPENEYE NAME: (2S)-N-(4-acetylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(4-acetylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(4-acetylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(4-ethanoylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H21N3O2S
MOLECULAR WEIGHT: 391.48604
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=CC=C(C=C3)C(=O)C
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Product OPENEYE NAME: benzhydryl-methyl-[2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium
CAS Name: [2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C21H28N3O2+
MOLECULAR WEIGHT: 354.46592
SMILES: CC[C@@H](C)NC(=O)NC(=O)C[NH+](C)C(C1=CC=CC=C1)C2=CC=CC=C2
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