Saturday, December 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(4-methoxyphenyl)methyl]-3-(2-methyl-5-methylsulfanyl-phenyl)urea
CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[2-methyl-5-(methylthio)phenyl]urea
IUPAC NAME: 1-[(4-methoxyphenyl)methyl]-3-(2-methyl-5-methylsulfanylphenyl)urea
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-3-(2-methyl-5-methylsulfanyl-phenyl)urea
MOLECULAR FORMULA: C17H20N2O2S
MOLECULAR WEIGHT: 316.4179
SMILES: CC1=C(C=C(C=C1)SC)NC(=O)NCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: methyl 4-[[3-(3-methylsulfinylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoate
CAS Name: 4-[[3-(3-methylsulfinylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[3-(3-methylsulfinylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[3-(3-methylsulfinylphenyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]methyl]benzoate
MOLECULAR FORMULA: C21H18N4O5S
MOLECULAR WEIGHT: 438.45642
SMILES: COC(=O)C1=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: N-benzyl-2-cyano-N-[(2-methyl-5-methylsulfanyl-phenyl)carbamoyl]acetamide
CAS Name: 2-cyano-N-[[2-methyl-5-(methylthio)anilino]-oxomethyl]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-cyano-N-[(2-methyl-5-methylsulfanylphenyl)carbamoyl]acetamide
SYSTEMATIC NAME: 2-cyano-N-[(2-methyl-5-methylsulfanyl-phenyl)carbamoyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: CC1=C(C=C(C=C1)SC)NC(=O)N(CC2=CC=CC=C2)C(=O)CC#N
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Product OPENEYE NAME: 1-benzyl-3-(2-methyl-3-methylsulfanyl-phenyl)-7H-purine-2,6-dione
CAS Name: 3-[2-methyl-3-(methylthio)phenyl]-1-(phenylmethyl)-7H-purine-2,6-dione
IUPAC NAME: 1-benzyl-3-(2-methyl-3-methylsulfanylphenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-methyl-3-methylsulfanyl-phenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C20H18N4O2S
MOLECULAR WEIGHT: 378.44752
SMILES: CC1=C(C=CC=C1SC)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3
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Product OPENEYE NAME: 1-(4-benzyloxyphenyl)-3-[2-(2-furylmethylsulfanyl)ethyl]urea
CAS Name: 1-[2-(2-furanylmethylthio)ethyl]-3-(4-phenylmethoxyphenyl)urea
IUPAC NAME: 1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(4-phenylmethoxyphenyl)urea
SYSTEMATIC NAME: 1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(4-phenylmethoxyphenyl)urea
MOLECULAR FORMULA: C21H22N2O3S
MOLECULAR WEIGHT: 382.47598
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)NCCSCC3=CC=CO3
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Product OPENEYE NAME: 1,2-bis(4-phenylpiperazin-1-yl)ethanone hydrochloride
CAS Name: 1,2-bis(4-phenyl-1-piperazinyl)ethanone hydrochloride
IUPAC NAME: 1,2-bis(4-phenylpiperazin-1-yl)ethanone hydrochloride
SYSTEMATIC NAME: 1,2-bis(4-phenylpiperazin-1-yl)ethanone hydrochloride
MOLECULAR FORMULA: C22H29ClN4O
MOLECULAR WEIGHT: 400.94486
SMILES: C1CN(CCN1CC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4.Cl
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Product OPENEYE NAME: 1-butyl-3-[2-(2-furylmethylsulfanyl)ethyl]urea
CAS Name: 1-butyl-3-[2-(2-furanylmethylthio)ethyl]urea
IUPAC NAME: 1-butyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SYSTEMATIC NAME: 1-butyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
MOLECULAR FORMULA: C12H20N2O2S
MOLECULAR WEIGHT: 256.3644
SMILES: CCCCNC(=O)NCCSCC1=CC=CO1
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Product OPENEYE NAME: 1-(4-tert-butylphenyl)-3-[2-(2-furylmethylsulfanyl)ethyl]urea
CAS Name: 1-(4-tert-butylphenyl)-3-[2-(2-furanylmethylthio)ethyl]urea
IUPAC NAME: 1-(4-tert-butylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
MOLECULAR FORMULA: C18H24N2O2S
MOLECULAR WEIGHT: 332.46036
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)NCCSCC2=CC=CO2
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Product OPENEYE NAME: 1-(4-butylphenyl)-3-[2-(2-furylmethylsulfanyl)ethyl]urea
CAS Name: 1-(4-butylphenyl)-3-[2-(2-furanylmethylthio)ethyl]urea
IUPAC NAME: 1-(4-butylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SYSTEMATIC NAME: 1-(4-butylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
MOLECULAR FORMULA: C18H24N2O2S
MOLECULAR WEIGHT: 332.46036
SMILES: CCCCC1=CC=C(C=C1)NC(=O)NCCSCC2=CC=CO2
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Product OPENEYE NAME: 1-(5-chloro-2-methoxy-phenyl)-3-[2-(2-furylmethylsulfanyl)ethyl]urea
CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[2-(2-furanylmethylthio)ethyl]urea
IUPAC NAME: 1-(5-chloro-2-methoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SYSTEMATIC NAME: 1-(5-chloranyl-2-methoxy-phenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
MOLECULAR FORMULA: C15H17ClN2O3S
MOLECULAR WEIGHT: 340.82508
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)NCCSCC2=CC=CO2
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Product OPENEYE NAME: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiophene-2-sulfonamide
CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-thiophenesulfonamide
IUPAC NAME: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiophene-2-sulfonamide
SYSTEMATIC NAME: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiophene-2-sulfonamide
MOLECULAR FORMULA: C18H14N2O2S3
MOLECULAR WEIGHT: 386.51096
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4
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Product OPENEYE NAME: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
IUPAC NAME: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
SYSTEMATIC NAME: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
MOLECULAR FORMULA: C20H14N4O3S2
MOLECULAR WEIGHT: 422.48016
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=NON=C54
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Product OPENEYE NAME: 1-benzyl-3-(2-methyl-3-methylsulfinyl-phenyl)-7H-purine-2,6-dione
CAS Name: 3-(2-methyl-3-methylsulfinylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
IUPAC NAME: 1-benzyl-3-(2-methyl-3-methylsulfinylphenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-methyl-3-methylsulfinyl-phenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC1=C(C=CC=C1S(=O)C)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3
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Product OPENEYE NAME: 1-benzyl-3-(2-methyl-5-methylsulfinyl-phenyl)-7H-purine-2,6-dione
CAS Name: 3-(2-methyl-5-methylsulfinylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
IUPAC NAME: 1-benzyl-3-(2-methyl-5-methylsulfinylphenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-methyl-5-methylsulfinyl-phenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC1=C(C=C(C=C1)S(=O)C)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3
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Product OPENEYE NAME: 1-(3-chloro-2-methyl-phenyl)-3-[2-(2-furylmethylsulfanyl)ethyl]urea
CAS Name: 1-(3-chloro-2-methylphenyl)-3-[2-(2-furanylmethylthio)ethyl]urea
IUPAC NAME: 1-(3-chloro-2-methylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SYSTEMATIC NAME: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
MOLECULAR FORMULA: C15H17ClN2O2S
MOLECULAR WEIGHT: 324.82568
SMILES: CC1=C(C=CC=C1Cl)NC(=O)NCCSCC2=CC=CO2
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[2-(2-furylmethylsulfanyl)ethyl]urea
CAS Name: 1-(4-chlorophenyl)-3-[2-(2-furanylmethylthio)ethyl]urea
IUPAC NAME: 1-(4-chlorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
MOLECULAR FORMULA: C14H15ClN2O2S
MOLECULAR WEIGHT: 310.7991
SMILES: C1=COC(=C1)CSCCNC(=O)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 1-(3,5-dichlorophenyl)-3-[2-(2-furylmethylsulfanyl)ethyl]urea
CAS Name: 1-(3,5-dichlorophenyl)-3-[2-(2-furanylmethylthio)ethyl]urea
IUPAC NAME: 1-(3,5-dichlorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)phenyl]-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
MOLECULAR FORMULA: C14H14Cl2N2O2S
MOLECULAR WEIGHT: 345.24416
SMILES: C1=COC(=C1)CSCCNC(=O)NC2=CC(=CC(=C2)Cl)Cl
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Product OPENEYE NAME: 1-(3,5-dimethoxyphenyl)-3-[2-(2-furylmethylsulfanyl)ethyl]urea
CAS Name: 1-(3,5-dimethoxyphenyl)-3-[2-(2-furanylmethylthio)ethyl]urea
IUPAC NAME: 1-(3,5-dimethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SYSTEMATIC NAME: 1-(3,5-dimethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
MOLECULAR FORMULA: C16H20N2O4S
MOLECULAR WEIGHT: 336.406
SMILES: COC1=CC(=CC(=C1)NC(=O)NCCSCC2=CC=CO2)OC
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Product OPENEYE NAME: 1-methyl-3-(quinoline-6-carbonylamino)thiourea
CAS Name: 1-methyl-3-[[oxo(6-quinolinyl)methyl]amino]thiourea
IUPAC NAME: 1-methyl-3-(quinoline-6-carbonylamino)thiourea
SYSTEMATIC NAME: 1-methyl-3-(quinolin-6-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C12H12N4OS
MOLECULAR WEIGHT: 260.31488
SMILES: CNC(=S)NNC(=O)C1=CC2=C(C=C1)N=CC=C2
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Product OPENEYE NAME: 2-tert-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 2-tert-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 2-tert-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2-tert-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C18H18F3N3O
MOLECULAR WEIGHT: 349.35023
SMILES: CC(C)(C)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)OC)C(F)(F)F
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Product OPENEYE NAME: 5-(4-chlorophenyl)-2-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Name: 5-(4-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
IUPAC NAME: 5-(4-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 5-(4-chlorophenyl)-2-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C17H9ClF3N3S
MOLECULAR WEIGHT: 379.78667
SMILES: C1=CSC(=C1)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)Cl)C(F)(F)F
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Product OPENEYE NAME: N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide
CAS Name: N'-[(4-chlorophenyl)-oxomethyl]-6-quinolinecarbohydrazide
IUPAC NAME: N'-(4-chlorobenzoyl)quinoline-6-carbohydrazide
SYSTEMATIC NAME: N'-(4-chlorophenyl)carbonylquinoline-6-carbohydrazide
MOLECULAR FORMULA: C17H12ClN3O2
MOLECULAR WEIGHT: 325.74908
SMILES: C1=CC2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl)N=C1
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Product OPENEYE NAME: 1-phenyl-3-(quinoline-6-carbonylamino)urea
CAS Name: 1-[[oxo(6-quinolinyl)methyl]amino]-3-phenylurea
IUPAC NAME: 1-phenyl-3-(quinoline-6-carbonylamino)urea
SYSTEMATIC NAME: 1-phenyl-3-(quinolin-6-ylcarbonylamino)urea
MOLECULAR FORMULA: C17H14N4O2
MOLECULAR WEIGHT: 306.31866
SMILES: C1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC3=C(C=C2)N=CC=C3
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