Friday, September 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(4,6-dimethoxypyrimidin-2-yl)-3-(methylsulfanylmethyl)-2-sulfamoyl-pyridine-4-carboxamide
CAS Name: N-(4,6-dimethoxy-2-pyrimidinyl)-3-[(methylthio)methyl]-2-sulfamoyl-4-pyridinecarboxamide
IUPAC NAME: N-(4,6-dimethoxypyrimidin-2-yl)-3-(methylsulfanylmethyl)-2-sulfamoylpyridine-4-carboxamide
SYSTEMATIC NAME: N-(4,6-dimethoxypyrimidin-2-yl)-3-(methylsulfanylmethyl)-2-sulfamoyl-pyridine-4-carboxamide
MOLECULAR FORMULA: C14H17N5O5S2
MOLECULAR WEIGHT: 399.44528
SMILES: COC1=CC(=NC(=N1)NC(=O)C2=C(C(=NC=C2)S(=O)(=O)N)CSC)OC
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Product OPENEYE NAME: N-(4-chloro-6-methoxy-pyrimidin-2-yl)-3-(methylsulfanylmethyl)-2-sulfamoyl-pyridine-4-carboxamide
CAS Name: N-(4-chloro-6-methoxy-2-pyrimidinyl)-3-[(methylthio)methyl]-2-sulfamoyl-4-pyridinecarboxamide
IUPAC NAME: N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(methylsulfanylmethyl)-2-sulfamoylpyridine-4-carboxamide
SYSTEMATIC NAME: N-(4-chloranyl-6-methoxy-pyrimidin-2-yl)-3-(methylsulfanylmethyl)-2-sulfamoyl-pyridine-4-carboxamide
MOLECULAR FORMULA: C13H14ClN5O4S2
MOLECULAR WEIGHT: 403.86436
SMILES: COC1=CC(=NC(=N1)NC(=O)C2=C(C(=NC=C2)S(=O)(=O)N)CSC)Cl
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Product OPENEYE NAME: N-(4,5-dimethoxypyrimidin-2-yl)-3-(methylsulfanylmethyl)-2-sulfamoyl-pyridine-4-carboxamide
CAS Name: N-(4,5-dimethoxy-2-pyrimidinyl)-3-[(methylthio)methyl]-2-sulfamoyl-4-pyridinecarboxamide
IUPAC NAME: N-(4,5-dimethoxypyrimidin-2-yl)-3-(methylsulfanylmethyl)-2-sulfamoylpyridine-4-carboxamide
SYSTEMATIC NAME: N-(4,5-dimethoxypyrimidin-2-yl)-3-(methylsulfanylmethyl)-2-sulfamoyl-pyridine-4-carboxamide
MOLECULAR FORMULA: C14H17N5O5S2
MOLECULAR WEIGHT: 399.44528
SMILES: COC1=CN=C(N=C1OC)NC(=O)C2=C(C(=NC=C2)S(=O)(=O)N)CSC
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Product OPENEYE NAME: [3-(methylsulfanylmethyl)-2-pyridyl]sulfonylurea
CAS Name: [3-[(methylthio)methyl]-2-pyridinyl]sulfonylurea
IUPAC NAME: [3-(methylsulfanylmethyl)pyridin-2-yl]sulfonylurea
SYSTEMATIC NAME: 1-[3-(methylsulfanylmethyl)pyridin-2-yl]sulfonylurea
MOLECULAR FORMULA: C8H11N3O3S2
MOLECULAR WEIGHT: 261.32124
SMILES: CSCC1=C(N=CC=C1)S(=O)(=O)NC(=O)N
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Product OPENEYE NAME: 1,1,2,3-tetrabromo-3,3-diphenyl-propane-1,2-diol
CAS Name: 1,1,2,3-tetrabromo-3,3-diphenylpropane-1,2-diol
IUPAC NAME: 1,1,2,3-tetrabromo-3,3-diphenylpropane-1,2-diol
SYSTEMATIC NAME: 1,1,2,3-tetrakis(bromanyl)-3,3-diphenyl-propane-1,2-diol
MOLECULAR FORMULA: C15H12Br4O2
MOLECULAR WEIGHT: 543.87058
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C(O)(Br)Br)(O)Br)Br
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Product OPENEYE NAME: 1,7-dihydrodiazepin-2-ium 2-oxide
CAS Name: 1,7-dihydrodiazepin-2-ium 2-oxide
IUPAC NAME: 1,7-dihydrodiazepin-2-ium 2-oxide
SYSTEMATIC NAME: 1,7-dihydro-1,2-diazepin-2-ium 2-oxide
MOLECULAR FORMULA: C5H7N2O+
MOLECULAR WEIGHT: 111.12188
SMILES: C1C=CC=C[N+](=O)N1
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Product OPENEYE NAME: 1-oxidodiazepin-1-ium-3-one
CAS Name: 1-oxido-3-diazepin-1-iumone
IUPAC NAME: 1-oxidodiazepin-1-ium-3-one
SYSTEMATIC NAME: 1-oxidanidyl-1,2-diazepin-1-ium-3-one
MOLECULAR FORMULA: C5H4N2O2
MOLECULAR WEIGHT: 124.09746
SMILES: C1=CC(=O)N=[N+](C=C1)[O-]
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Product OPENEYE NAME: 1-(1H-imidazol-5-yl)-3-(1H-indol-3-yl)propan-2-one
CAS Name: 1-(1H-imidazol-5-yl)-3-(1H-indol-3-yl)-2-propanone
IUPAC NAME: 1-(1H-imidazol-5-yl)-3-(1H-indol-3-yl)propan-2-one
SYSTEMATIC NAME: 1-(1H-imidazol-5-yl)-3-(1H-indol-3-yl)propan-2-one
MOLECULAR FORMULA: C14H13N3O
MOLECULAR WEIGHT: 239.27252
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)CC3=CN=CN3
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Product OPENEYE NAME: disodium; 2-methylpyridine-3-carboxylate; 4-methylpyridine-3-carboxylate
CAS Name: disodium; 2-methyl-3-pyridinecarboxylate; 4-methyl-3-pyridinecarboxylate
IUPAC NAME: disodium; 2-methylpyridine-3-carboxylate; 4-methylpyridine-3-carboxylate
SYSTEMATIC NAME: disodium; 2-methylpyridine-3-carboxylate; 4-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C14H12N2Na2O4
MOLECULAR WEIGHT: 318.23562
SMILES: CC1=C(C=NC=C1)C(=O)[O-].CC1=C(C=CC=N1)C(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 2-(4H-1,2-benzothiazin-6-yl)-4-oxo-butanoic acid
CAS Name: 2-(4H-1,2-benzothiazin-6-yl)-4-oxobutanoic acid
IUPAC NAME: 2-(4H-1,2-benzothiazin-6-yl)-4-oxobutanoic acid
SYSTEMATIC NAME: 2-(4H-1,2-benzothiazin-6-yl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C12H11NO3S
MOLECULAR WEIGHT: 249.28564
SMILES: C1C=NSC2=C1C=C(C=C2)C(CC=O)C(=O)O
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Product OPENEYE NAME: 5-isopropyl-1H-pyridazin-6-one
CAS Name: 5-propan-2-yl-1H-pyridazin-6-one
IUPAC NAME: 5-propan-2-yl-1H-pyridazin-6-one
SYSTEMATIC NAME: 5-propan-2-yl-1H-pyridazin-6-one
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CC(C)C1=CC=NNC1=O
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Product OPENEYE NAME: benzyl benzoate; benzyl 2-hydroxybenzoate; butyl benzoate; butyl octadecanoate; ethyl decanoate; ethyl hexanoate; ethyl octanoate; hexyl dodecanoate
CAS Name: benzoic acid butyl ester; benzoic acid (phenylmethyl) ester; decanoic acid ethyl ester; dodecanoic acid hexyl ester; hexanoic acid ethyl ester; 2-hydroxybenzoic acid (phenylmethyl) ester; octadecanoic acid butyl ester; octanoic acid ethyl ester
IUPAC NAME: benzyl benzoate; benzyl 2-hydroxybenzoate; butyl benzoate; butyl octadecanoate; ethyl decanoate; ethyl hexanoate; ethyl octanoate; hexyl dodecanoate
SYSTEMATIC NAME: butyl benzoate; butyl octadecanoate; ethyl decanoate; ethyl hexanoate; ethyl octanoate; hexyl dodecanoate; (phenylmethyl) benzoate; (phenylmethyl) 2-oxidanylbenzoate
MOLECULAR FORMULA: C109H178O17
MOLECULAR WEIGHT: 1760.56942
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC.CCCCCCCCCCCC(=O)OCCCCCC.CCCCCCCCCC(=O)OCC.CCCCCCCC(=O)OCC.CCCCCC(=O)OCC.CCCCOC(=O)C1=CC=CC=C1.C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
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Product OPENEYE NAME: [6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)-3-pyridyl]methyl acetate
CAS Name: acetic acid [6-but-3-en-1-ynyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-pyridinyl]methyl ester
IUPAC NAME: [6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridin-3-yl]methyl acetate
SYSTEMATIC NAME: [6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridin-3-yl]methyl ethanoate
MOLECULAR FORMULA: C21H25NO2
MOLECULAR WEIGHT: 323.4287
SMILES: CC1=C(C(CCC1)(C)C)C2=C(C=NC(=C2)C#CC=C)COC(=O)C
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Product OPENEYE NAME: 1-[6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)-3-pyridyl]propan-1-ol
CAS Name: 1-[6-but-3-en-1-ynyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-pyridinyl]-1-propanol
IUPAC NAME: 1-[6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridin-3-yl]propan-1-ol
SYSTEMATIC NAME: 1-[6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridin-3-yl]propan-1-ol
MOLECULAR FORMULA: C21H27NO
MOLECULAR WEIGHT: 309.44518
SMILES: CCC(C1=C(C=C(N=C1)C#CC=C)C2=C(CCCC2(C)C)C)O
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Product OPENEYE NAME: 2-but-3-en-1-ynyl-5-(dimethoxymethyl)-4-(2,6,6-trimethylcyclohexen-1-yl)pyridine
CAS Name: 2-but-3-en-1-ynyl-5-(dimethoxymethyl)-4-(2,6,6-trimethyl-1-cyclohexenyl)pyridine
IUPAC NAME: 2-but-3-en-1-ynyl-5-(dimethoxymethyl)-4-(2,6,6-trimethylcyclohexen-1-yl)pyridine
SYSTEMATIC NAME: 2-but-3-en-1-ynyl-5-(dimethoxymethyl)-4-(2,6,6-trimethylcyclohexen-1-yl)pyridine
MOLECULAR FORMULA: C21H27NO2
MOLECULAR WEIGHT: 325.44458
SMILES: CC1=C(C(CCC1)(C)C)C2=C(C=NC(=C2)C#CC=C)C(OC)OC
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Product OPENEYE NAME: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylic acid
CAS Name: 3-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl]-2-thiophenecarboxylic acid
IUPAC NAME: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylic acid
MOLECULAR FORMULA: C18H20O2S
MOLECULAR WEIGHT: 300.4152
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C#CC2=C(SC=C2)C(=O)O
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Product OPENEYE NAME: [6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)-3-pyridyl]methanol
CAS Name: [6-but-3-en-1-ynyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-pyridinyl]methanol
IUPAC NAME: [6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridin-3-yl]methanol
SYSTEMATIC NAME: [6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridin-3-yl]methanol
MOLECULAR FORMULA: C19H23NO
MOLECULAR WEIGHT: 281.39202
SMILES: CC1=C(C(CCC1)(C)C)C2=C(C=NC(=C2)C#CC=C)CO
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Product OPENEYE NAME: 6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridine-3-carbaldehyde
CAS Name: 6-but-3-en-1-ynyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-pyridinecarboxaldehyde
IUPAC NAME: 6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridine-3-carbaldehyde
SYSTEMATIC NAME: 6-but-3-en-1-ynyl-4-(2,6,6-trimethylcyclohexen-1-yl)pyridine-3-carbaldehyde
MOLECULAR FORMULA: C19H21NO
MOLECULAR WEIGHT: 279.37614
SMILES: CC1=C(C(CCC1)(C)C)C2=C(C=NC(=C2)C#CC=C)C=O
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