Sunday, April 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(2-benzyloxy-3,4-dichloro-phenoxy)methyl]oxirane
CAS Name: 2-[(3,4-dichloro-2-phenylmethoxyphenoxy)methyl]oxirane
IUPAC NAME: 2-[(3,4-dichloro-2-phenylmethoxyphenoxy)methyl]oxirane
SYSTEMATIC NAME: 2-[[3,4-bis(chloranyl)-2-phenylmethoxy-phenoxy]methyl]oxirane
MOLECULAR FORMULA: C16H14Cl2O3
MOLECULAR WEIGHT: 325.18656
SMILES: C1C(O1)COC2=C(C(=C(C=C2)Cl)Cl)OCC3=CC=CC=C3
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Product OPENEYE NAME: 2-[(6-benzyloxy-2,3-dichloro-phenoxy)methyl]oxirane
CAS Name: 2-[(2,3-dichloro-6-phenylmethoxyphenoxy)methyl]oxirane
IUPAC NAME: 2-[(2,3-dichloro-6-phenylmethoxyphenoxy)methyl]oxirane
SYSTEMATIC NAME: 2-[[2,3-bis(chloranyl)-6-phenylmethoxy-phenoxy]methyl]oxirane
MOLECULAR FORMULA: C16H14Cl2O3
MOLECULAR WEIGHT: 325.18656
SMILES: C1C(O1)COC2=C(C=CC(=C2Cl)Cl)OCC3=CC=CC=C3
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Product OPENEYE NAME: 3,4-dichloro-2-(oxiran-2-ylmethoxy)phenol
CAS Name: 3,4-dichloro-2-(2-oxiranylmethoxy)phenol
IUPAC NAME: 3,4-dichloro-2-(oxiran-2-ylmethoxy)phenol
SYSTEMATIC NAME: 3,4-bis(chloranyl)-2-(oxiran-2-ylmethoxy)phenol
MOLECULAR FORMULA: C9H8Cl2O3
MOLECULAR WEIGHT: 235.06402
SMILES: C1C(O1)COC2=C(C=CC(=C2Cl)Cl)O
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Product OPENEYE NAME: 4-methyl-3,5-bis(3-methylphenoxy)-1,2,4,6-thiatriazine 1-oxide
CAS Name: 4-methyl-3,5-bis(3-methylphenoxy)-1,2,4,6-thiatriazine 1-oxide
IUPAC NAME: 4-methyl-3,5-bis(3-methylphenoxy)-1,2,4,6-thiatriazine 1-oxide
SYSTEMATIC NAME: 4-methyl-3,5-bis(3-methylphenoxy)-1,2,4,6-thiatriazine 1-oxide
MOLECULAR FORMULA: C17H17N3O3S
MOLECULAR WEIGHT: 343.40018
SMILES: CC1=CC(=CC=C1)OC2=NS(=O)N=C(N2C)OC3=CC=CC(=C3)C
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Product OPENEYE NAME: 4-methyl-3,5-bis(3-methylphenoxy)-1,2,4,6-thiatriazine 1,1-dioxide
CAS Name: 4-methyl-3,5-bis(3-methylphenoxy)-1,2,4,6-thiatriazine 1,1-dioxide
IUPAC NAME: 4-methyl-3,5-bis(3-methylphenoxy)-1,2,4,6-thiatriazine 1,1-dioxide
SYSTEMATIC NAME: 4-methyl-3,5-bis(3-methylphenoxy)-1,2,4,6-thiatriazine 1,1-dioxide
MOLECULAR FORMULA: C17H17N3O4S
MOLECULAR WEIGHT: 359.39958
SMILES: CC1=CC(=CC=C1)OC2=NS(=O)(=O)N=C(N2C)OC3=CC=CC(=C3)C
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Product OPENEYE NAME: 3-[1-(1-piperidyl)tetralin-5-yl]oxypropan-1-amine
CAS Name: 3-[[5-(1-piperidinyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-1-propanamine
IUPAC NAME: 3-[(5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propan-1-amine
SYSTEMATIC NAME: 3-[(5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propan-1-amine
MOLECULAR FORMULA: C18H28N2O
MOLECULAR WEIGHT: 288.42772
SMILES: C1CCN(CC1)C2CCCC3=C2C=CC=C3OCCCN
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Product OPENEYE NAME: 2-butyl-5-methoxy-3-(4-nitrophenoxy)-1,2,4,6-thiatriazine 1,1-dioxide
CAS Name: 2-butyl-5-methoxy-3-(4-nitrophenoxy)-1,2,4,6-thiatriazine 1,1-dioxide
IUPAC NAME: 2-butyl-5-methoxy-3-(4-nitrophenoxy)-1,2,4,6-thiatriazine 1,1-dioxide
SYSTEMATIC NAME: 2-butyl-5-methoxy-3-(4-nitrophenoxy)-1,2,4,6-thiatriazine 1,1-dioxide
MOLECULAR FORMULA: C13H16N4O6S
MOLECULAR WEIGHT: 356.35434
SMILES: CCCCN1C(=NC(=NS1(=O)=O)OC)OC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-butyl-5-methoxy-1,1-dioxo-1,2,4,6-thiatriazin-3-amine
CAS Name: 2-butyl-5-methoxy-1,1-dioxo-1,2,4,6-thiatriazin-3-amine
IUPAC NAME: 2-butyl-5-methoxy-1,1-dioxo-1,2,4,6-thiatriazin-3-amine
SYSTEMATIC NAME: 2-butyl-5-methoxy-1,1-bis(oxidanylidene)-1,2,4,6-thiatriazin-3-amine
MOLECULAR FORMULA: C7H14N4O3S
MOLECULAR WEIGHT: 234.27606
SMILES: CCCCN1C(=NC(=NS1(=O)=O)OC)N
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Product OPENEYE NAME: 2-benzyl-5-methoxy-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-one
CAS Name: 5-methoxy-1,1-dioxo-2-(phenylmethyl)-4H-1,2,4,6-thiatriazin-3-one
IUPAC NAME: 2-benzyl-5-methoxy-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-one
SYSTEMATIC NAME: 5-methoxy-1,1-bis(oxidanylidene)-2-(phenylmethyl)-4H-1,2,4,6-thiatriazin-3-one
MOLECULAR FORMULA: C10H11N3O4S
MOLECULAR WEIGHT: 269.27704
SMILES: COC1=NS(=O)(=O)N(C(=O)N1)CC2=CC=CC=C2
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Product OPENEYE NAME: 4-isopropyl-3-methyl-azulene-1-sulfonic acid
CAS Name: 3-methyl-4-propan-2-yl-1-azulenesulfonic acid
IUPAC NAME: 3-methyl-4-propan-2-ylazulene-1-sulfonic acid
SYSTEMATIC NAME: 3-methyl-4-propan-2-yl-azulene-1-sulfonic acid
MOLECULAR FORMULA: C14H16O3S
MOLECULAR WEIGHT: 264.34004
SMILES: CC1=C2C(=CC=CC=C2C(C)C)C(=C1)S(=O)(=O)O
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Product OPENEYE NAME: isopropyl 2-bromo-3-isopropyl-5-methyl-imidazole-4-carboxylate
CAS Name: 2-bromo-5-methyl-3-propan-2-yl-4-imidazolecarboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-bromo-5-methyl-3-propan-2-ylimidazole-4-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-bromanyl-5-methyl-3-propan-2-yl-imidazole-4-carboxylate
MOLECULAR FORMULA: C11H17BrN2O2
MOLECULAR WEIGHT: 289.16888
SMILES: CC1=C(N(C(=N1)Br)C(C)C)C(=O)OC(C)C
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Product OPENEYE NAME: isopropyl 2-bromo-1-isopropyl-5-methyl-imidazole-4-carboxylate
CAS Name: 2-bromo-5-methyl-1-propan-2-yl-4-imidazolecarboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-bromo-5-methyl-1-propan-2-ylimidazole-4-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-bromanyl-5-methyl-1-propan-2-yl-imidazole-4-carboxylate
MOLECULAR FORMULA: C11H17BrN2O2
MOLECULAR WEIGHT: 289.16888
SMILES: CC1=C(N=C(N1C(C)C)Br)C(=O)OC(C)C
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Product OPENEYE NAME: disodium 5,5-diethyl-6-oxo-pyrimidine-2,4-diolate
CAS Name: disodium 5,5-diethyl-6-oxopyrimidine-2,4-diolate
IUPAC NAME: disodium 5,5-diethyl-6-oxopyrimidine-2,4-diolate
SYSTEMATIC NAME: disodium 5,5-diethyl-6-oxidanylidene-pyrimidine-2,4-diolate
MOLECULAR FORMULA: C8H10N2Na2O3
MOLECULAR WEIGHT: 228.15614
SMILES: CCC1(C(=NC(=NC1=O)[O-])[O-])CC.[Na+].[Na+]
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Product OPENEYE NAME: 2-(2-methoxyethylsulfanyl)benzenesulfonamide
CAS Name: 2-(2-methoxyethylthio)benzenesulfonamide
IUPAC NAME: 2-(2-methoxyethylsulfanyl)benzenesulfonamide
SYSTEMATIC NAME: 2-(2-methoxyethylsulfanyl)benzenesulfonamide
MOLECULAR FORMULA: C9H13NO3S2
MOLECULAR WEIGHT: 247.33442
SMILES: COCCSC1=CC=CC=C1S(=O)(=O)N
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Product OPENEYE NAME: 2-(2-methoxyethylsulfonyl)benzenesulfonamide
CAS Name: 2-(2-methoxyethylsulfonyl)benzenesulfonamide
IUPAC NAME: 2-(2-methoxyethylsulfonyl)benzenesulfonamide
SYSTEMATIC NAME: 2-(2-methoxyethylsulfonyl)benzenesulfonamide
MOLECULAR FORMULA: C9H13NO5S2
MOLECULAR WEIGHT: 279.33322
SMILES: COCCS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N
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Product OPENEYE NAME: 2-(2-methoxyethylsulfonyl)-N-(oxomethylene)benzenesulfonamide
CAS Name: 2-(2-methoxyethylsulfonyl)-N-(oxomethylidene)benzenesulfonamide
IUPAC NAME: 2-(2-methoxyethylsulfonyl)-N-(oxomethylidene)benzenesulfonamide
SYSTEMATIC NAME: 2-(2-methoxyethylsulfonyl)-N-(oxidanylidenemethylidene)benzenesulfonamide
MOLECULAR FORMULA: C10H11NO6S2
MOLECULAR WEIGHT: 305.32744
SMILES: COCCS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N=C=O
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Product OPENEYE NAME: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-methoxyethylsulfonyl)phenyl]sulfonyl-urea
CAS Name: 1-(4,6-dimethoxy-2-pyrimidinyl)-3-[2-(2-methoxyethylsulfonyl)phenyl]sulfonylurea
IUPAC NAME: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-methoxyethylsulfonyl)phenyl]sulfonylurea
SYSTEMATIC NAME: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-methoxyethylsulfonyl)phenyl]sulfonyl-urea
MOLECULAR FORMULA: C16H20N4O8S2
MOLECULAR WEIGHT: 460.482
SMILES: COCCS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
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Product OPENEYE NAME: 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-methoxyethylsulfonyl)phenyl]sulfonyl-urea
CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-3-[2-(2-methoxyethylsulfonyl)phenyl]sulfonylurea
IUPAC NAME: 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-methoxyethylsulfonyl)phenyl]sulfonylurea
SYSTEMATIC NAME: 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(2-methoxyethylsulfonyl)phenyl]sulfonyl-urea
MOLECULAR FORMULA: C16H20N4O6S2
MOLECULAR WEIGHT: 428.4832
SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)CCOC)C
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Product OPENEYE NAME: 1-[2-(2-methoxyethylsulfonyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea
CAS Name: 1-[2-(2-methoxyethylsulfonyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-2-pyrimidinyl)urea
IUPAC NAME: 1-[2-(2-methoxyethylsulfonyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
SYSTEMATIC NAME: 1-[2-(2-methoxyethylsulfonyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea
MOLECULAR FORMULA: C16H20N4O7S2
MOLECULAR WEIGHT: 444.4826
SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)CCOC)OC
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Product OPENEYE NAME: methyl 2-[2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]phenyl]sulfonylacetate
CAS Name: 2-[2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]phenyl]sulfonylacetic acid methyl ester
IUPAC NAME: methyl 2-[2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]phenyl]sulfonylacetate
SYSTEMATIC NAME: methyl 2-[2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]phenyl]sulfonylethanoate
MOLECULAR FORMULA: C16H18N4O7S2
MOLECULAR WEIGHT: 442.46672
SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)CC(=O)OC)C
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Product OPENEYE NAME: methyl 2-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]sulfonylacetate
CAS Name: 2-[2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]phenyl]sulfonylacetic acid methyl ester
IUPAC NAME: methyl 2-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]sulfonylacetate
SYSTEMATIC NAME: methyl 2-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]sulfonylethanoate
MOLECULAR FORMULA: C16H18N4O9S2
MOLECULAR WEIGHT: 474.46552
SMILES: COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)CC(=O)OC)OC
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Product OPENEYE NAME: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea
CAS Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4,6-dimethyl-2-pyrimidinyl)urea
IUPAC NAME: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea
SYSTEMATIC NAME: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea
MOLECULAR FORMULA: C15H15N5O3S2
MOLECULAR WEIGHT: 377.4413
SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2SCC#N)C
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Product OPENEYE NAME: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea
CAS Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4-methoxy-6-methyl-2-pyrimidinyl)urea
IUPAC NAME: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
SYSTEMATIC NAME: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea
MOLECULAR FORMULA: C15H15N5O4S2
MOLECULAR WEIGHT: 393.4407
SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2SCC#N)OC
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Product OPENEYE NAME: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CAS Name: 1-[2-(cyanomethylthio)phenyl]sulfonyl-3-(4,6-dimethoxy-2-pyrimidinyl)urea
IUPAC NAME: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
SYSTEMATIC NAME: 1-[2-(cyanomethylsulfanyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
MOLECULAR FORMULA: C15H15N5O5S2
MOLECULAR WEIGHT: 409.4401
SMILES: COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2SCC#N)OC
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