Saturday, December 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: morpholino(6-quinolyl)methanone
CAS Name: 4-morpholinyl(6-quinolinyl)methanone
IUPAC NAME: morpholin-4-yl(quinolin-6-yl)methanone
SYSTEMATIC NAME: morpholin-4-yl(quinolin-6-yl)methanone
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: C1COCCN1C(=O)C2=CC3=C(C=C2)N=CC=C3
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Product OPENEYE NAME: 1-(3-chloro-2-isopropylsulfanyl-phenyl)-3-(3-nitrophenyl)urea
CAS Name: 1-[3-chloro-2-(propan-2-ylthio)phenyl]-3-(3-nitrophenyl)urea
IUPAC NAME: 1-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-(3-nitrophenyl)urea
SYSTEMATIC NAME: 1-(3-chloranyl-2-propan-2-ylsulfanyl-phenyl)-3-(3-nitrophenyl)urea
MOLECULAR FORMULA: C16H16ClN3O3S
MOLECULAR WEIGHT: 365.83454
SMILES: CC(C)SC1=C(C=CC=C1Cl)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate
CAS Name: 3-[[oxo(6-quinolinyl)methyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-(quinolin-6-ylcarbonylamino)thiophene-2-carboxylate
MOLECULAR FORMULA: C16H12N2O3S
MOLECULAR WEIGHT: 312.34308
SMILES: COC(=O)C1=C(C=CS1)NC(=O)C2=CC3=C(C=C2)N=CC=C3
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Product OPENEYE NAME: ethyl 4,5-dimethyl-2-(quinoline-6-carbonylamino)thiophene-3-carboxylate
CAS Name: 4,5-dimethyl-2-[[oxo(6-quinolinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4,5-dimethyl-2-(quinoline-6-carbonylamino)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 4,5-dimethyl-2-(quinolin-6-ylcarbonylamino)thiophene-3-carboxylate
MOLECULAR FORMULA: C19H18N2O3S
MOLECULAR WEIGHT: 354.42282
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC3=C(C=C2)N=CC=C3
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Product OPENEYE NAME: N-(4-bromo-5-methyl-2-nitro-phenyl)acetamide
CAS Name: N-(4-bromo-5-methyl-2-nitrophenyl)acetamide
IUPAC NAME: N-(4-bromo-5-methyl-2-nitrophenyl)acetamide
SYSTEMATIC NAME: N-(4-bromanyl-5-methyl-2-nitro-phenyl)ethanamide
MOLECULAR FORMULA: C9H9BrN2O3
MOLECULAR WEIGHT: 273.08336
SMILES: CC1=CC(=C(C=C1Br)[N+](=O)[O-])NC(=O)C
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Product OPENEYE NAME: methyl 4-isopropylsulfanyl-3-nitro-benzoate
CAS Name: 3-nitro-4-(propan-2-ylthio)benzoic acid methyl ester
IUPAC NAME: methyl 3-nitro-4-propan-2-ylsulfanylbenzoate
SYSTEMATIC NAME: methyl 3-nitro-4-propan-2-ylsulfanyl-benzoate
MOLECULAR FORMULA: C11H13NO4S
MOLECULAR WEIGHT: 255.29022
SMILES: CC(C)SC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]
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Product OPENEYE NAME: 1-isopropylsulfanyl-2-nitro-4-(trifluoromethyl)benzene
CAS Name: 2-nitro-1-(propan-2-ylthio)-4-(trifluoromethyl)benzene
IUPAC NAME: 2-nitro-1-propan-2-ylsulfanyl-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 2-nitro-1-propan-2-ylsulfanyl-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C10H10F3NO2S
MOLECULAR WEIGHT: 265.25211
SMILES: CC(C)SC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[3-(methylthio)phenyl]urea
IUPAC NAME: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
MOLECULAR FORMULA: C16H18N2O2S
MOLECULAR WEIGHT: 302.39132
SMILES: COC1=CC=C(C=C1)CNC(=O)NC2=CC(=CC=C2)SC
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Product OPENEYE NAME: methyl 4-[[(3-methylsulfanylphenyl)carbamoylamino]methyl]benzoate
CAS Name: 4-[[[[3-(methylthio)anilino]-oxomethyl]amino]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[(3-methylsulfanylphenyl)carbamoylamino]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[(3-methylsulfanylphenyl)carbamoylamino]methyl]benzoate
MOLECULAR FORMULA: C17H18N2O3S
MOLECULAR WEIGHT: 330.40142
SMILES: COC(=O)C1=CC=C(C=C1)CNC(=O)NC2=CC(=CC=C2)SC
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Product OPENEYE NAME: 6-amino-3-[(4-methoxyphenyl)methyl]-1-(3-methylsulfanylphenyl)pyrimidine-2,4-dione
CAS Name: 6-amino-3-[(4-methoxyphenyl)methyl]-1-[3-(methylthio)phenyl]pyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-[(4-methoxyphenyl)methyl]-1-(3-methylsulfanylphenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-[(4-methoxyphenyl)methyl]-1-(3-methylsulfanylphenyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H19N3O3S
MOLECULAR WEIGHT: 369.43746
SMILES: COC1=CC=C(C=C1)CN2C(=O)C=C(N(C2=O)C3=CC(=CC=C3)SC)N
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Product OPENEYE NAME: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)-7H-purine-2,6-dione
CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[3-(methylthio)phenyl]-7H-purine-2,6-dione
IUPAC NAME: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: COC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)SC
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Product OPENEYE NAME: 1-benzyl-3-(2-methyl-3-methylsulfanyl-phenyl)urea
CAS Name: 1-[2-methyl-3-(methylthio)phenyl]-3-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-(2-methyl-3-methylsulfanylphenyl)urea
SYSTEMATIC NAME: 1-(2-methyl-3-methylsulfanyl-phenyl)-3-(phenylmethyl)urea
MOLECULAR FORMULA: C16H18N2OS
MOLECULAR WEIGHT: 286.39192
SMILES: CC1=C(C=CC=C1SC)NC(=O)NCC2=CC=CC=C2
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Product OPENEYE NAME: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfinylphenyl)-7H-purine-2,6-dione
CAS Name: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfinylphenyl)-7H-purine-2,6-dione
IUPAC NAME: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfinylphenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-3-(3-methylsulfinylphenyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C20H18N4O4S
MOLECULAR WEIGHT: 410.44632
SMILES: COC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)S(=O)C
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Product OPENEYE NAME: methyl 4-[[4-amino-3-(3-methylsulfanylphenyl)-2,6-dioxo-pyrimidin-1-yl]methyl]benzoate
CAS Name: 4-[[4-amino-3-[3-(methylthio)phenyl]-2,6-dioxo-1-pyrimidinyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[4-amino-3-(3-methylsulfanylphenyl)-2,6-dioxopyrimidin-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[4-azanyl-3-(3-methylsulfanylphenyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzoate
MOLECULAR FORMULA: C20H19N3O4S
MOLECULAR WEIGHT: 397.44756
SMILES: COC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N(C2=O)C3=CC(=CC=C3)SC)N
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Product OPENEYE NAME: 4-[[3-(3-methylsulfanylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid
CAS Name: 4-[[3-[3-(methylthio)phenyl]-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-(3-methylsulfanylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-(3-methylsulfanylphenyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]methyl]benzoic acid
MOLECULAR FORMULA: C20H16N4O4S
MOLECULAR WEIGHT: 408.43044
SMILES: CSC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)O)NC=N3
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Product OPENEYE NAME: methyl 4-[[3-(3-methylsulfanylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoate
CAS Name: 4-[[3-[3-(methylthio)phenyl]-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[3-(3-methylsulfanylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[3-(3-methylsulfanylphenyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]methyl]benzoate
MOLECULAR FORMULA: C21H18N4O4S
MOLECULAR WEIGHT: 422.45702
SMILES: COC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)SC
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Product OPENEYE NAME: 1-benzyl-3-(2-methyl-5-methylsulfanyl-phenyl)urea
CAS Name: 1-[2-methyl-5-(methylthio)phenyl]-3-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-(2-methyl-5-methylsulfanylphenyl)urea
SYSTEMATIC NAME: 1-(2-methyl-5-methylsulfanyl-phenyl)-3-(phenylmethyl)urea
MOLECULAR FORMULA: C16H18N2OS
MOLECULAR WEIGHT: 286.39192
SMILES: CC1=C(C=C(C=C1)SC)NC(=O)NCC2=CC=CC=C2
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