Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-chloro-N-(2-furylmethyl)-N-[3-oxo-3-[2-(2-thienylsulfonyl)hydrazino]propyl]benzenesulfonamide
CAS Name: 4-chloro-N-(2-furanylmethyl)-N-[3-oxo-3-(thiophen-2-ylsulfonylhydrazo)propyl]benzenesulfonamide
IUPAC NAME: 4-chloro-N-(furan-2-ylmethyl)-N-[3-oxo-3-(2-thiophen-2-ylsulfonylhydrazinyl)propyl]benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-(furan-2-ylmethyl)-N-[3-oxidanylidene-3-(2-thiophen-2-ylsulfonylhydrazinyl)propyl]benzenesulfonamide
MOLECULAR FORMULA: C18H18ClN3O6S3
MOLECULAR WEIGHT: 504.00002
SMILES: C1=COC(=C1)CN(CCC(=O)NNS(=O)(=O)C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 4-chloro-N-(2-furylmethyl)-N-[3-[2-(4-methoxyphenyl)sulfonylhydrazino]-3-oxo-propyl]benzenesulfonamide
CAS Name: 4-chloro-N-(2-furanylmethyl)-N-[3-[(4-methoxyphenyl)sulfonylhydrazo]-3-oxopropyl]benzenesulfonamide
IUPAC NAME: 4-chloro-N-(furan-2-ylmethyl)-N-[3-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-3-oxopropyl]benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-(furan-2-ylmethyl)-N-[3-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-3-oxidanylidene-propyl]benzenesulfonamide
MOLECULAR FORMULA: C21H22ClN3O7S2
MOLECULAR WEIGHT: 527.99828
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-[3-[(4-chlorophenyl)sulfonyl-(2-furylmethyl)amino]propanoylamino]-3-methyl-thiourea
CAS Name: 1-[[3-[(4-chlorophenyl)sulfonyl-(2-furanylmethyl)amino]-1-oxopropyl]amino]-3-methylthiourea
IUPAC NAME: 1-[3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoylamino]-3-methylthiourea
SYSTEMATIC NAME: 1-[3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoylamino]-3-methyl-thiourea
MOLECULAR FORMULA: C16H19ClN4O4S2
MOLECULAR WEIGHT: 430.92946
SMILES: CNC(=S)NNC(=O)CCN(CC1=CC=CO1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: N4,N4,N6,N6-tetramethyl-5-nitro-pyrimidine-4,6-diamine
CAS Name: N4,N4,N6,N6-tetramethyl-5-nitropyrimidine-4,6-diamine
IUPAC NAME: 4-N,4-N,6-N,6-N-tetramethyl-5-nitropyrimidine-4,6-diamine
SYSTEMATIC NAME: N4,N4,N6,N6-tetramethyl-5-nitro-pyrimidine-4,6-diamine
MOLECULAR FORMULA: C8H13N5O2
MOLECULAR WEIGHT: 211.22112
SMILES: CN(C)C1=C(C(=NC=N1)N(C)C)[N+](=O)[O-]
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Product OPENEYE NAME: N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CAS Name: N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]-4-pyrimidinamine
IUPAC NAME: N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
SYSTEMATIC NAME: N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
MOLECULAR FORMULA: C13H11F3N4O3
MOLECULAR WEIGHT: 328.24665
SMILES: CN(C)C1=C(C(=NC=N1)OC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 6-(4-chlorophenoxy)-N,N-dimethyl-5-nitro-pyrimidin-4-amine
CAS Name: 6-(4-chlorophenoxy)-N,N-dimethyl-5-nitro-4-pyrimidinamine
IUPAC NAME: 6-(4-chlorophenoxy)-N,N-dimethyl-5-nitropyrimidin-4-amine
SYSTEMATIC NAME: 6-(4-chloranylphenoxy)-N,N-dimethyl-5-nitro-pyrimidin-4-amine
MOLECULAR FORMULA: C12H11ClN4O3
MOLECULAR WEIGHT: 294.69374
SMILES: CN(C)C1=C(C(=NC=N1)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 4-chloro-N-(2-furylmethyl)-N-[2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CAS Name: 4-chloro-N-(2-furanylmethyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
IUPAC NAME: 4-chloro-N-(furan-2-ylmethyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-(furan-2-ylmethyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
MOLECULAR FORMULA: C16H17ClN4O3S2
MOLECULAR WEIGHT: 412.91418
SMILES: CN1C(=NNC1=S)CCN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-[(4-chlorophenyl)sulfonyl-(2-furylmethyl)amino]propanoic acid
CAS Name: 3-[(4-chlorophenyl)sulfonyl-(2-furanylmethyl)amino]propanoic acid
IUPAC NAME: 3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
SYSTEMATIC NAME: 3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
MOLECULAR FORMULA: C14H14ClNO5S
MOLECULAR WEIGHT: 343.78266
SMILES: C1=COC(=C1)CN(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: ethyl 3-[(4-chlorophenyl)sulfonyl-(2-furylmethyl)amino]propanoate
CAS Name: 3-[(4-chlorophenyl)sulfonyl-(2-furanylmethyl)amino]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate
SYSTEMATIC NAME: ethyl 3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate
MOLECULAR FORMULA: C16H18ClNO5S
MOLECULAR WEIGHT: 371.83582
SMILES: CCOC(=O)CCN(CC1=CC=CO1)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-amino-3,5,6-trimethyl-pyrimidin-4-one
CAS Name: 2-amino-3,5,6-trimethyl-4-pyrimidinone
IUPAC NAME: 2-amino-3,5,6-trimethylpyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-3,5,6-trimethyl-pyrimidin-4-one
MOLECULAR FORMULA: C7H11N3O
MOLECULAR WEIGHT: 153.18174
SMILES: CC1=C(N=C(N(C1=O)C)N)C
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Product OPENEYE NAME: 4-chloro-N-(2-cyanoethyl)-N-(2-furylmethyl)benzenesulfonamide
CAS Name: 4-chloro-N-(2-cyanoethyl)-N-(2-furanylmethyl)benzenesulfonamide
IUPAC NAME: 4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
MOLECULAR FORMULA: C14H13ClN2O3S
MOLECULAR WEIGHT: 324.78262
SMILES: C1=COC(=C1)CN(CCC#N)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-(2-furylmethyl)-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide
CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenesulfonamide
IUPAC NAME: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide
MOLECULAR FORMULA: C17H16N4O3S3
MOLECULAR WEIGHT: 420.52894
SMILES: CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)N(CCC#N)CC3=CC=CO3
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-(2-furylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide
CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide
IUPAC NAME: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2,1,3-benzoxadiazole-4-sulfonamide
MOLECULAR FORMULA: C14H12N4O4S
MOLECULAR WEIGHT: 332.33448
SMILES: C1=CC2=NON=C2C(=C1)S(=O)(=O)N(CCC#N)CC3=CC=CO3
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Product OPENEYE NAME: N-(benzylideneamino)-5-hex-1-ynyl-pyridine-3-carboxamide
CAS Name: 5-hex-1-ynyl-N-[(phenylmethylene)amino]-3-pyridinecarboxamide
IUPAC NAME: N-(benzylideneamino)-5-hex-1-ynylpyridine-3-carboxamide
SYSTEMATIC NAME: 5-hex-1-ynyl-N-[(phenylmethylidene)amino]pyridine-3-carboxamide
MOLECULAR FORMULA: C19H19N3O
MOLECULAR WEIGHT: 305.37366
SMILES: CCCCC#CC1=CC(=CN=C1)C(=O)NN=CC2=CC=CC=C2
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Product OPENEYE NAME: 5-oct-1-ynylpyridine-3-carboxylic acid
CAS Name: 5-oct-1-ynyl-3-pyridinecarboxylic acid
IUPAC NAME: 5-oct-1-ynylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-oct-1-ynylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: CCCCCCC#CC1=CC(=CN=C1)C(=O)O
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Product OPENEYE NAME: 7-chloro-4-(4-pyrrol-1-yl-1-piperidyl)quinoline
CAS Name: 7-chloro-4-[4-(1-pyrrolyl)-1-piperidinyl]quinoline
IUPAC NAME: 7-chloro-4-(4-pyrrol-1-ylpiperidin-1-yl)quinoline
SYSTEMATIC NAME: 7-chloranyl-4-(4-pyrrol-1-ylpiperidin-1-yl)quinoline
MOLECULAR FORMULA: C18H18ClN3
MOLECULAR WEIGHT: 311.80862
SMILES: C1CN(CCC1N2C=CC=C2)C3=C4C=CC(=CC4=NC=C3)Cl
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Product OPENEYE NAME: 5-hex-1-ynyl-N-(2-thienylmethyleneamino)pyridine-3-carboxamide
CAS Name: 5-hex-1-ynyl-N-(thiophen-2-ylmethylideneamino)-3-pyridinecarboxamide
IUPAC NAME: 5-hex-1-ynyl-N-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide
SYSTEMATIC NAME: 5-hex-1-ynyl-N-(thiophen-2-ylmethylideneamino)pyridine-3-carboxamide
MOLECULAR FORMULA: C17H17N3OS
MOLECULAR WEIGHT: 311.40138
SMILES: CCCCC#CC1=CC(=CN=C1)C(=O)NN=CC2=CC=CS2
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Product OPENEYE NAME: N'-(4-chlorobenzoyl)-5-hex-1-ynyl-pyridine-3-carbohydrazide
CAS Name: N'-[(4-chlorophenyl)-oxomethyl]-5-hex-1-ynyl-3-pyridinecarbohydrazide
IUPAC NAME: N'-(4-chlorobenzoyl)-5-hex-1-ynylpyridine-3-carbohydrazide
SYSTEMATIC NAME: N'-(4-chlorophenyl)carbonyl-5-hex-1-ynyl-pyridine-3-carbohydrazide
MOLECULAR FORMULA: C19H18ClN3O2
MOLECULAR WEIGHT: 355.81812
SMILES: CCCCC#CC1=CC(=CN=C1)C(=O)NNC(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 5-hex-1-ynyl-N-[[4-(trifluoromethyl)phenyl]methyleneamino]pyridine-3-carboxamide
CAS Name: 5-hex-1-ynyl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-3-pyridinecarboxamide
IUPAC NAME: 5-hex-1-ynyl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide
SYSTEMATIC NAME: 5-hex-1-ynyl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide
MOLECULAR FORMULA: C20H18F3N3O
MOLECULAR WEIGHT: 373.37163
SMILES: CCCCC#CC1=CC(=CN=C1)C(=O)NN=CC2=CC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: 5-hex-1-ynyl-N-[(3-methoxyphenyl)methyleneamino]pyridine-3-carboxamide
CAS Name: 5-hex-1-ynyl-N-[(3-methoxyphenyl)methylideneamino]-3-pyridinecarboxamide
IUPAC NAME: 5-hex-1-ynyl-N-[(3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
SYSTEMATIC NAME: 5-hex-1-ynyl-N-[(3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
MOLECULAR FORMULA: C20H21N3O2
MOLECULAR WEIGHT: 335.39964
SMILES: CCCCC#CC1=CC(=CN=C1)C(=O)NN=CC2=CC(=CC=C2)OC
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Product OPENEYE NAME: 6-methyl-4-(4-pyrrol-1-yl-1-piperidyl)-2-(trifluoromethyl)quinoline
CAS Name: 6-methyl-4-[4-(1-pyrrolyl)-1-piperidinyl]-2-(trifluoromethyl)quinoline
IUPAC NAME: 6-methyl-4-(4-pyrrol-1-ylpiperidin-1-yl)-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 6-methyl-4-(4-pyrrol-1-ylpiperidin-1-yl)-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C20H20F3N3
MOLECULAR WEIGHT: 359.38811
SMILES: CC1=CC2=C(C=C1)N=C(C=C2N3CCC(CC3)N4C=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 5-hex-1-ynyl-N'-[3-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide
CAS Name: 5-hex-1-ynyl-N'-[oxo-[3-(trifluoromethyl)phenyl]methyl]-3-pyridinecarbohydrazide
IUPAC NAME: 5-hex-1-ynyl-N'-[3-(trifluoromethyl)benzoyl]pyridine-3-carbohydrazide
SYSTEMATIC NAME: 5-hex-1-ynyl-N'-[3-(trifluoromethyl)phenyl]carbonyl-pyridine-3-carbohydrazide
MOLECULAR FORMULA: C20H18F3N3O2
MOLECULAR WEIGHT: 389.37103
SMILES: CCCCC#CC1=CC(=CN=C1)C(=O)NNC(=O)C2=CC(=CC=C2)C(F)(F)F
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