Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 5-bromo-1-(o-tolyl)pyrimidine-2,4-dione
CAS Name: 5-bromo-1-(2-methylphenyl)pyrimidine-2,4-dione
IUPAC NAME: 5-bromo-1-(2-methylphenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-bromanyl-1-(2-methylphenyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H9BrN2O2
MOLECULAR WEIGHT: 281.10536
SMILES: CC1=CC=CC=C1N2C=C(C(=O)NC2=O)Br
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Product OPENEYE NAME: 3-(2,4-dichlorophenyl)-4-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CAS Name: 3-(2,4-dichlorophenyl)-4-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
IUPAC NAME: 3-(2,4-dichlorophenyl)-4-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
SYSTEMATIC NAME: 3-(2,4-dichlorophenyl)-4-oxidanyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
MOLECULAR FORMULA: C13H10Cl2N2O2
MOLECULAR WEIGHT: 297.1367
SMILES: C1CC2=NC(=O)C(=C(N2C1)O)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: methyl 4-[(4-methoxycarbonylphenyl)methylcarbamoylamino]-3-methyl-benzoate
CAS Name: 4-[[[(4-methoxycarbonylphenyl)methylamino]-oxomethyl]amino]-3-methylbenzoic acid methyl ester
IUPAC NAME: methyl 4-[(4-methoxycarbonylphenyl)methylcarbamoylamino]-3-methylbenzoate
SYSTEMATIC NAME: methyl 4-[(4-methoxycarbonylphenyl)methylcarbamoylamino]-3-methyl-benzoate
MOLECULAR FORMULA: C19H20N2O5
MOLECULAR WEIGHT: 356.3725
SMILES: CC1=C(C=CC(=C1)C(=O)OC)NC(=O)NCC2=CC=C(C=C2)C(=O)OC
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Product OPENEYE NAME: diethyl 2-(4-benzyloxyphenyl)propanedioate
CAS Name: 2-(4-phenylmethoxyphenyl)propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-(4-phenylmethoxyphenyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(4-phenylmethoxyphenyl)propanedioate
MOLECULAR FORMULA: C20H22O5
MOLECULAR WEIGHT: 342.38568
SMILES: CCOC(=O)C(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OCC
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Product OPENEYE NAME: 1-chloro-2-isopropylsulfanyl-3-nitro-benzene
CAS Name: 1-chloro-3-nitro-2-(propan-2-ylthio)benzene
IUPAC NAME: 1-chloro-3-nitro-2-propan-2-ylsulfanylbenzene
SYSTEMATIC NAME: 1-chloranyl-3-nitro-2-propan-2-ylsulfanyl-benzene
MOLECULAR FORMULA: C9H10ClNO2S
MOLECULAR WEIGHT: 231.6992
SMILES: CC(C)SC1=C(C=CC=C1Cl)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 4-[[acetyl-[(4-methoxycarbonylphenyl)methyl]carbamoyl]amino]-3-methyl-benzoate
CAS Name: 4-[[[acetyl-[(4-methoxycarbonylphenyl)methyl]amino]-oxomethyl]amino]-3-methylbenzoic acid methyl ester
IUPAC NAME: methyl 4-[[acetyl-[(4-methoxycarbonylphenyl)methyl]carbamoyl]amino]-3-methylbenzoate
SYSTEMATIC NAME: methyl 4-[[ethanoyl-[(4-methoxycarbonylphenyl)methyl]carbamoyl]amino]-3-methyl-benzoate
MOLECULAR FORMULA: C21H22N2O6
MOLECULAR WEIGHT: 398.40918
SMILES: CC1=C(C=CC(=C1)C(=O)OC)NC(=O)N(CC2=CC=C(C=C2)C(=O)OC)C(=O)C
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Product OPENEYE NAME: 1-(1-adamantyl)-3-[(2-methylsulfanylphenyl)methyl]urea
CAS Name: 1-(1-adamantyl)-3-[[2-(methylthio)phenyl]methyl]urea
IUPAC NAME: 1-(1-adamantyl)-3-[(2-methylsulfanylphenyl)methyl]urea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(2-methylsulfanylphenyl)methyl]urea
MOLECULAR FORMULA: C19H26N2OS
MOLECULAR WEIGHT: 330.48754
SMILES: CSC1=CC=CC=C1CNC(=O)NC23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: 3-(2,5-difluorophenyl)-4-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-one
CAS Name: 3-(2,5-difluorophenyl)-4-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-one
IUPAC NAME: 3-(2,5-difluorophenyl)-4-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-one
SYSTEMATIC NAME: 3-[2,5-bis(fluoranyl)phenyl]-4-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-one
MOLECULAR FORMULA: C14H12F2N2O2
MOLECULAR WEIGHT: 278.254086
SMILES: C1CCN2C(=NC(=O)C(=C2O)C3=C(C=CC(=C3)F)F)C1
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Product OPENEYE NAME: N-phenylquinoline-6-carboxamide
CAS Name: N-phenyl-6-quinolinecarboxamide
IUPAC NAME: N-phenylquinoline-6-carboxamide
SYSTEMATIC NAME: N-phenylquinoline-6-carboxamide
MOLECULAR FORMULA: C16H12N2O
MOLECULAR WEIGHT: 248.27928
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CC=C3
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Product OPENEYE NAME: 1-benzyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine
CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-1-(phenylmethyl)-4-piperidinamine
IUPAC NAME: 1-benzyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine
SYSTEMATIC NAME: N-[2-nitro-4-(trifluoromethyl)phenyl]-1-(phenylmethyl)piperidin-4-amine
MOLECULAR FORMULA: C19H20F3N3O2
MOLECULAR WEIGHT: 379.37621
SMILES: C1CN(CCC1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3
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Product OPENEYE NAME: N-(2,4-difluorophenyl)quinoline-6-carboxamide
CAS Name: N-(2,4-difluorophenyl)-6-quinolinecarboxamide
IUPAC NAME: N-(2,4-difluorophenyl)quinoline-6-carboxamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]quinoline-6-carboxamide
MOLECULAR FORMULA: C16H10F2N2O
MOLECULAR WEIGHT: 284.260206
SMILES: C1=CC2=C(C=CC(=C2)C(=O)NC3=C(C=C(C=C3)F)F)N=C1
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-3-nitro-pyridin-2-amine
CAS Name: 3-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-2-pyridinamine
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-3-nitropyridin-2-amine
SYSTEMATIC NAME: 3-nitro-N-[1-(phenylmethyl)piperidin-4-yl]pyridin-2-amine
MOLECULAR FORMULA: C17H20N4O2
MOLECULAR WEIGHT: 312.3663
SMILES: C1CN(CCC1NC2=C(C=CC=N2)[N+](=O)[O-])CC3=CC=CC=C3
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