Wednesday, May 8, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-isobutyl-pyrido[2,3-d]pyrimidin-4-one
CAS Name: 2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(2-methylpropyl)-4-pyrido[2,3-d]pyrimidinone
IUPAC NAME: 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C21H26N4O2S
MOLECULAR WEIGHT: 398.52174
SMILES: CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(C=CC=N3)C(=O)N2CC(C)C)C
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Product OPENEYE NAME: 3-isobutyl-2-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-pyrido[2,3-d]pyrimidin-4-one
CAS Name: 2-[[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]thio]-3-(2-methylpropyl)-4-pyrido[2,3-d]pyrimidinone
IUPAC NAME: 2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C22H28N4O2S
MOLECULAR WEIGHT: 412.54832
SMILES: CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=C(C=CC=N3)C(=O)N2CC(C)C
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Product OPENEYE NAME: N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]acetamide
IUPAC NAME: N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[(1S)-1-[2,4-bis(fluoranyl)phenyl]ethyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C21H22F2N4O2S
MOLECULAR WEIGHT: 432.486786
SMILES: C[C@@H](C1=C(C=C(C=C1)F)F)NC(=O)CSC2=NC3=C(C=CC=N3)C(=O)N2CC(C)C
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Product OPENEYE NAME: N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]acetamide
IUPAC NAME: N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[(1R)-1-[2,4-bis(fluoranyl)phenyl]ethyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C21H22F2N4O2S
MOLECULAR WEIGHT: 432.486786
SMILES: C[C@H](C1=C(C=C(C=C1)F)F)NC(=O)CSC2=NC3=C(C=CC=N3)C(=O)N2CC(C)C
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Product OPENEYE NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]acetamide
IUPAC NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C22H24N4O4S
MOLECULAR WEIGHT: 440.51536
SMILES: CC(C)CN1C(=O)C2=C(N=CC=C2)N=C1SCC(=O)NC[C@@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]acetamide
IUPAC NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C22H24N4O4S
MOLECULAR WEIGHT: 440.51536
SMILES: CC(C)CN1C(=O)C2=C(N=CC=C2)N=C1SCC(=O)NC[C@H]3COC4=CC=CC=C4O3
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Product OPENEYE NAME: 2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CAS Name: N-[2-(3-methylphenoxy)ethyl]-2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]acetamide
IUPAC NAME: N-[2-(3-methylphenoxy)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[2-(3-methylphenoxy)ethyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C22H26N4O3S
MOLECULAR WEIGHT: 426.53184
SMILES: CC1=CC(=CC=C1)OCCNC(=O)CSC2=NC3=C(C=CC=N3)C(=O)N2CC(C)C
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Product OPENEYE NAME: 2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-phenoxyethyl)acetamide
CAS Name: 2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]-N-(2-phenoxyethyl)acetamide
IUPAC NAME: 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-phenoxyethyl)acetamide
SYSTEMATIC NAME: 2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-phenoxyethyl)ethanamide
MOLECULAR FORMULA: C21H24N4O3S
MOLECULAR WEIGHT: 412.50526
SMILES: CC(C)CN1C(=O)C2=C(N=CC=C2)N=C1SCC(=O)NCCOC3=CC=CC=C3
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Product OPENEYE NAME: 2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(2-thienyl)ethyl]acetamide
CAS Name: 2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]-N-(2-thiophen-2-ylethyl)acetamide
IUPAC NAME: 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SYSTEMATIC NAME: 2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)ethanamide
MOLECULAR FORMULA: C19H22N4O2S2
MOLECULAR WEIGHT: 402.53358
SMILES: CC(C)CN1C(=O)C2=C(N=CC=C2)N=C1SCC(=O)NCCC3=CC=CS3
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Product OPENEYE NAME: N-[(1S)-1-(2-furyl)ethyl]-2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(1S)-1-(2-furanyl)ethyl]-2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]acetamide
IUPAC NAME: N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C19H22N4O3S
MOLECULAR WEIGHT: 386.46798
SMILES: C[C@@H](C1=CC=CO1)NC(=O)CSC2=NC3=C(C=CC=N3)C(=O)N2CC(C)C
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Product OPENEYE NAME: N-[(1R)-1-(2-furyl)ethyl]-2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(1R)-1-(2-furanyl)ethyl]-2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]acetamide
IUPAC NAME: N-[(1R)-1-(furan-2-yl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[(1R)-1-(furan-2-yl)ethyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C19H22N4O3S
MOLECULAR WEIGHT: 386.46798
SMILES: C[C@H](C1=CC=CO1)NC(=O)CSC2=NC3=C(C=CC=N3)C(=O)N2CC(C)C
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Product OPENEYE NAME: N-(1,1-dimethylpropyl)-2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-methylbutan-2-yl)-2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]acetamide
IUPAC NAME: N-(2-methylbutan-2-yl)-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(2-methylbutan-2-yl)-2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C18H26N4O2S
MOLECULAR WEIGHT: 362.48964
SMILES: CCC(C)(C)NC(=O)CSC1=NC2=C(C=CC=N2)C(=O)N1CC(C)C
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Product OPENEYE NAME: N-[(2-fluorophenyl)methyl]-2-(3-isobutyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(2-fluorophenyl)methyl]-2-[[3-(2-methylpropyl)-4-oxo-2-pyrido[2,3-d]pyrimidinyl]thio]acetamide
IUPAC NAME: N-[(2-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[(2-fluorophenyl)methyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C20H21FN4O2S
MOLECULAR WEIGHT: 400.469743
SMILES: CC(C)CN1C(=O)C2=C(N=CC=C2)N=C1SCC(=O)NCC3=CC=CC=C3F
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