Wednesday, July 10, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N,N-dimethyl-1-phenyl-pentan-2-amine
CAS Name: N,N-dimethyl-1-phenyl-2-pentanamine
IUPAC NAME: N,N-dimethyl-1-phenylpentan-2-amine
SYSTEMATIC NAME: N,N-dimethyl-1-phenyl-pentan-2-amine
MOLECULAR FORMULA: C13H21N
MOLECULAR WEIGHT: 191.31254
SMILES: CCCC(CC1=CC=CC=C1)N(C)C
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Product OPENEYE NAME: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
CAS Name: 2-[[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoylmethyl]benzoic acid
IUPAC NAME: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
SYSTEMATIC NAME: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
MOLECULAR FORMULA: C14H15N5O7S
MOLECULAR WEIGHT: 397.3632
SMILES: COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC
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Product OPENEYE NAME: 1-(2-nitrophenyl)-N-(oxomethylene)ethanesulfonamide
CAS Name: 1-(2-nitrophenyl)-N-(oxomethylidene)ethanesulfonamide
IUPAC NAME: 1-(2-nitrophenyl)-N-(oxomethylidene)ethanesulfonamide
SYSTEMATIC NAME: 1-(2-nitrophenyl)-N-(oxidanylidenemethylidene)ethanesulfonamide
MOLECULAR FORMULA: C9H8N2O5S
MOLECULAR WEIGHT: 256.23522
SMILES: CC(C1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)N=C=O
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Product OPENEYE NAME: 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
CAS Name: 2-[[[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoylmethyl]benzoic acid
IUPAC NAME: 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
SYSTEMATIC NAME: 2-[(4,6-dimethyl-1,3,5-triazin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
MOLECULAR FORMULA: C14H15N5O5S
MOLECULAR WEIGHT: 365.3644
SMILES: CC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)C
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Product OPENEYE NAME: 2-[1-(2-nitrophenyl)ethyl]isothiourea hydrobromide
CAS Name: carbamimidothioic acid 1-(2-nitrophenyl)ethyl ester hydrobromide
IUPAC NAME: 1-(2-nitrophenyl)ethyl carbamimidothioate hydrobromide
SYSTEMATIC NAME: 1-(2-nitrophenyl)ethyl carbamimidothioate hydrobromide
MOLECULAR FORMULA: C9H12BrN3O2S
MOLECULAR WEIGHT: 306.17948
SMILES: CC(C1=CC=CC=C1[N+](=O)[O-])SC(=N)N.Br
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Product OPENEYE NAME: [4-(2-methyl-2-phenyl-propyl)phenyl]urea
CAS Name: [4-(2-methyl-2-phenylpropyl)phenyl]urea
IUPAC NAME: [4-(2-methyl-2-phenylpropyl)phenyl]urea
SYSTEMATIC NAME: 1-[4-(2-methyl-2-phenyl-propyl)phenyl]urea
MOLECULAR FORMULA: C17H20N2O
MOLECULAR WEIGHT: 268.3535
SMILES: CC(C)(CC1=CC=C(C=C1)NC(=O)N)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
CAS Name: 2-[[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoylmethyl]benzoic acid
IUPAC NAME: 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
SYSTEMATIC NAME: 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
MOLECULAR FORMULA: C15H16N4O6S
MOLECULAR WEIGHT: 380.37574
SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)OC
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Product OPENEYE NAME: 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
CAS Name: 2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoylmethyl]benzoic acid
IUPAC NAME: 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
SYSTEMATIC NAME: 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
MOLECULAR FORMULA: C15H16N4O5S
MOLECULAR WEIGHT: 364.37634
SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O)C
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Product OPENEYE NAME: 2-(sulfonylmethyl)benzoic acid
CAS Name: 2-(sulfonylmethyl)benzoic acid
IUPAC NAME: 2-(sulfonylmethyl)benzoic acid
SYSTEMATIC NAME: 2-(sulfonylmethyl)benzoic acid
MOLECULAR FORMULA: C8H6O4S
MOLECULAR WEIGHT: 198.19584
SMILES: C1=CC=C(C(=C1)C=S(=O)=O)C(=O)O
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Product OPENEYE NAME: 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
CAS Name: 2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoylmethyl]benzoic acid
IUPAC NAME: 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
SYSTEMATIC NAME: 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoylmethyl]benzoic acid
MOLECULAR FORMULA: C14H15N5O6S
MOLECULAR WEIGHT: 381.3638
SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)O
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Product OPENEYE NAME: ethyl 2-(2-isocyanatosulfonylphenyl)acetate
CAS Name: 2-(2-isocyanatosulfonylphenyl)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(2-isocyanatosulfonylphenyl)acetate
SYSTEMATIC NAME: ethyl 2-(2-isocyanatosulfonylphenyl)ethanoate
MOLECULAR FORMULA: C11H11NO5S
MOLECULAR WEIGHT: 269.27374
SMILES: CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N=C=O
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Product OPENEYE NAME: 2-methylsulfanylpropanoate
CAS Name: 2-(methylthio)propanoate
IUPAC NAME: 2-methylsulfanylpropanoate
SYSTEMATIC NAME: 2-methylsulfanylpropanoate
MOLECULAR FORMULA: C4H7O2S-
MOLECULAR WEIGHT: 119.16218
SMILES: CC(C(=O)[O-])SC
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Product OPENEYE NAME: methyl 3-(1,1-diethoxyethylsulfanyl)propanoate
CAS Name: 3-(1,1-diethoxyethylthio)propanoic acid methyl ester
IUPAC NAME: methyl 3-(1,1-diethoxyethylsulfanyl)propanoate
SYSTEMATIC NAME: methyl 3-(1,1-diethoxyethylsulfanyl)propanoate
MOLECULAR FORMULA: C10H20O4S
MOLECULAR WEIGHT: 236.3284
SMILES: CCOC(C)(OCC)SCCC(=O)OC
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Product OPENEYE NAME: 3-[(2E)-2-(ethoxycarbonylhydrazono)ethyl]sulfanylpropanoate
CAS Name: 3-[[(2E)-2-(ethoxycarbonylhydrazinylidene)ethyl]thio]propanoate
IUPAC NAME: 3-[(2E)-2-(ethoxycarbonylhydrazinylidene)ethyl]sulfanylpropanoate
SYSTEMATIC NAME: 3-[(2E)-2-(ethoxycarbonylhydrazinylidene)ethyl]sulfanylpropanoate
MOLECULAR FORMULA: C8H13N2O4S-
MOLECULAR WEIGHT: 233.26482
SMILES: CCOC(=O)N/N=C/CSCCC(=O)[O-]
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Product OPENEYE NAME: 3-[(2E)-2-(ethoxycarbonylhydrazono)ethyl]sulfanylpropanoic acid
CAS Name: 3-[[(2E)-2-(ethoxycarbonylhydrazinylidene)ethyl]thio]propanoic acid
IUPAC NAME: 3-[(2E)-2-(ethoxycarbonylhydrazinylidene)ethyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 3-[(2E)-2-(ethoxycarbonylhydrazinylidene)ethyl]sulfanylpropanoic acid
MOLECULAR FORMULA: C8H14N2O4S
MOLECULAR WEIGHT: 234.27276
SMILES: CCOC(=O)N/N=C/CSCCC(=O)O
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Product OPENEYE NAME: potassium 2H-thiadiazole-5-thione
CAS Name: potassium 2H-thiadiazole-5-thione
IUPAC NAME: potassium 2H-thiadiazole-5-thione
SYSTEMATIC NAME: potassium 2H-1,2,3-thiadiazole-5-thione
MOLECULAR FORMULA: C2H2KN2S2+
MOLECULAR WEIGHT: 157.27898
SMILES: C1=NNSC1=S.[K+]
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Product OPENEYE NAME: 3-(2-oxoethylsulfanyl)propanoate
CAS Name: 3-(2-oxoethylthio)propanoate
IUPAC NAME: 3-(2-oxoethylsulfanyl)propanoate
SYSTEMATIC NAME: 3-(2-oxidanylideneethylsulfanyl)propanoate
MOLECULAR FORMULA: C5H7O3S-
MOLECULAR WEIGHT: 147.17228
SMILES: C(CSCC=O)C(=O)[O-]
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Product OPENEYE NAME: 3-(2-oxoethylsulfanyl)propanoic acid
CAS Name: 3-(2-oxoethylthio)propanoic acid
IUPAC NAME: 3-(2-oxoethylsulfanyl)propanoic acid
SYSTEMATIC NAME: 3-(2-oxidanylideneethylsulfanyl)propanoic acid
MOLECULAR FORMULA: C5H8O3S
MOLECULAR WEIGHT: 148.18022
SMILES: C(CSCC=O)C(=O)O
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Product OPENEYE NAME: methyl 2-(thiadiazol-5-ylsulfanyl)propanoate
CAS Name: 2-(5-thiadiazolylthio)propanoic acid methyl ester
IUPAC NAME: methyl 2-(thiadiazol-5-ylsulfanyl)propanoate
SYSTEMATIC NAME: methyl 2-(1,2,3-thiadiazol-5-ylsulfanyl)propanoate
MOLECULAR FORMULA: C6H8N2O2S2
MOLECULAR WEIGHT: 204.26992
SMILES: CC(C(=O)OC)SC1=CN=NS1
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Product OPENEYE NAME: 1-(2,6-dinitrophenyl)ethanone
CAS Name: 1-(2,6-dinitrophenyl)ethanone
IUPAC NAME: 1-(2,6-dinitrophenyl)ethanone
SYSTEMATIC NAME: 1-(2,6-dinitrophenyl)ethanone
MOLECULAR FORMULA: C8H6N2O5
MOLECULAR WEIGHT: 210.14364
SMILES: CC(=O)C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-methoxy-1-(2-nitrophenyl)ethanone
CAS Name: 2-methoxy-1-(2-nitrophenyl)ethanone
IUPAC NAME: 2-methoxy-1-(2-nitrophenyl)ethanone
SYSTEMATIC NAME: 2-methoxy-1-(2-nitrophenyl)ethanone
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: COCC(=O)C1=CC=CC=C1[N+](=O)[O-]
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