Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(1-ethylpropyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-pentan-3-ylacetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-pentan-3-ylacetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-pentan-3-yl-ethanamide
MOLECULAR FORMULA: C18H23N3OS
MOLECULAR WEIGHT: 329.45972
SMILES: CCC(CC)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: benzhydryl-[2-(2,6-diethylanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2,6-diethylanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(2,6-diethylanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C26H31N2O+
MOLECULAR WEIGHT: 387.53714
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2,6-diethylphenyl)acetamide
CAS Name: N-(2,6-diethylphenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2,6-diethylphenyl)acetamide
SYSTEMATIC NAME: N-(2,6-diethylphenyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C26H30N2O
MOLECULAR WEIGHT: 386.5292
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[[(1R)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H21NO6
MOLECULAR WEIGHT: 407.41594
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)C
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Product OPENEYE NAME: 1-[(2S)-2-(4-bromo-2-fluoro-phenoxy)propanoyl]imidazolidin-2-one
CAS Name: 1-[(2S)-2-(4-bromo-2-fluorophenoxy)-1-oxopropyl]-2-imidazolidinone
IUPAC NAME: 1-[(2S)-2-(4-bromo-2-fluorophenoxy)propanoyl]imidazolidin-2-one
SYSTEMATIC NAME: 1-[(2S)-2-(4-bromanyl-2-fluoranyl-phenoxy)propanoyl]imidazolidin-2-one
MOLECULAR FORMULA: C12H12BrFN2O3
MOLECULAR WEIGHT: 331.137683
SMILES: C[C@@H](C(=O)N1CCNC1=O)OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: benzhydryl-[2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C23H24ClN2O+
MOLECULAR WEIGHT: 379.90246
SMILES: CC1=CC(=C(C=C1)NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)Cl
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2-chloro-4-methyl-phenyl)acetamide
CAS Name: N-(2-chloro-4-methylphenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2-chloro-4-methylphenyl)acetamide
SYSTEMATIC NAME: N-(2-chloranyl-4-methyl-phenyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C23H23ClN2O
MOLECULAR WEIGHT: 378.89452
SMILES: CC1=CC(=C(C=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3)Cl
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Product OPENEYE NAME: [(1S)-1-allophanoyl-2-methyl-propyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester
IUPAC NAME: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C17H18N2O6
MOLECULAR WEIGHT: 346.33462
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N
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Product OPENEYE NAME: 1-[(2R)-2-(4-bromo-2-fluoro-phenoxy)propanoyl]imidazolidin-2-one
CAS Name: 1-[(2R)-2-(4-bromo-2-fluorophenoxy)-1-oxopropyl]-2-imidazolidinone
IUPAC NAME: 1-[(2R)-2-(4-bromo-2-fluorophenoxy)propanoyl]imidazolidin-2-one
SYSTEMATIC NAME: 1-[(2R)-2-(4-bromanyl-2-fluoranyl-phenoxy)propanoyl]imidazolidin-2-one
MOLECULAR FORMULA: C12H12BrFN2O3
MOLECULAR WEIGHT: 331.137683
SMILES: C[C@H](C(=O)N1CCNC1=O)OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: N-[(1R)-1-methylbutyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-[(2R)-pentan-2-yl]acetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(2R)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[(2R)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C18H23N3OS
MOLECULAR WEIGHT: 329.45972
SMILES: CCC[C@@H](C)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: (2S)-2-(4-bromo-2-fluoro-phenoxy)-N-(4-methoxy-2-nitro-phenyl)propanamide
CAS Name: (2S)-2-(4-bromo-2-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
IUPAC NAME: (2S)-2-(4-bromo-2-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-(4-methoxy-2-nitro-phenyl)propanamide
MOLECULAR FORMULA: C16H14BrFN2O5
MOLECULAR WEIGHT: 413.195163
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: [(1R)-1-allophanoyl-2-methyl-propyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester
IUPAC NAME: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C17H18N2O6
MOLECULAR WEIGHT: 346.33462
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C(C)C)C(=O)NC(=O)N
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-benzhydryl-methyl-ammonium
CAS Name: (2-anilino-2-oxoethyl)-(diphenylmethyl)-methylammonium
IUPAC NAME: (2-anilino-2-oxoethyl)-benzhydryl-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium
MOLECULAR FORMULA: C22H23N2O+
MOLECULAR WEIGHT: 331.43082
SMILES: C[NH+](CC(=O)NC1=CC=CC=C1)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-phenyl-acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-phenylacetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-phenylacetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-phenyl-ethanamide
MOLECULAR FORMULA: C22H22N2O
MOLECULAR WEIGHT: 330.42288
SMILES: CN(CC(=O)NC1=CC=CC=C1)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H21NO5
MOLECULAR WEIGHT: 379.40584
SMILES: CCN(C1=CC=CC=C1)C(=O)[C@@H](C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: (2R)-2-(4-bromo-2-fluoro-phenoxy)-N-(4-methoxy-2-nitro-phenyl)propanamide
CAS Name: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
IUPAC NAME: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-(4-methoxy-2-nitro-phenyl)propanamide
MOLECULAR FORMULA: C16H14BrFN2O5
MOLECULAR WEIGHT: 413.195163
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: N-[(1S)-1-methylbutyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-[(2S)-pentan-2-yl]acetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C18H23N3OS
MOLECULAR WEIGHT: 329.45972
SMILES: CCC[C@H](C)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: [(1S)-2-(N-ethylanilino)-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-(N-ethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H21NO5
MOLECULAR WEIGHT: 379.40584
SMILES: CCN(C1=CC=CC=C1)C(=O)[C@H](C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: (2S)-2-(4-bromo-2-fluoro-phenoxy)-N-(2-methoxyethyl)propanamide
CAS Name: (2S)-2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)propanamide
IUPAC NAME: (2S)-2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-(2-methoxyethyl)propanamide
MOLECULAR FORMULA: C12H15BrFNO3
MOLECULAR WEIGHT: 320.154803
SMILES: C[C@@H](C(=O)NCCOC)OC1=C(C=C(C=C1)Br)F
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Product OPENEYE NAME: [(1S)-2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18O6
MOLECULAR WEIGHT: 366.36402
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: benzhydryl-[2-(benzylamino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-methyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonium
IUPAC NAME: benzhydryl-[2-(benzylamino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium
MOLECULAR FORMULA: C23H25N2O+
MOLECULAR WEIGHT: 345.4574
SMILES: C[NH+](CC(=O)NCC1=CC=CC=C1)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-benzyl-acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(phenylmethyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-benzylacetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C23H24N2O
MOLECULAR WEIGHT: 344.44946
SMILES: CN(CC(=O)NCC1=CC=CC=C1)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-2-(4-bromo-2-fluoro-phenoxy)-N-(2-methoxyethyl)propanamide
CAS Name: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)propanamide
IUPAC NAME: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-(2-methoxyethyl)propanamide
MOLECULAR FORMULA: C12H15BrFNO3
MOLECULAR WEIGHT: 320.154803
SMILES: C[C@H](C(=O)NCCOC)OC1=C(C=C(C=C1)Br)F
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Product OPENEYE NAME: N-(2,5-difluorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2,5-difluorophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2,5-difluorophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[2,5-bis(fluoranyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H15F2N3OS
MOLECULAR WEIGHT: 371.403706
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=CC(=C3)F)F
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