Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-3-yl] dihydrogen phosphate
CAS Name: [4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)-3-oxolanyl] dihydrogen phosphate
IUPAC NAME: [4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)oxolan-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [2-(hydroxymethyl)-4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C10H13N4O8P
MOLECULAR WEIGHT: 348.205981
SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)O)O
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Product OPENEYE NAME: 1,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexan-2-one
CAS Name: 1,3,4,5-tetrahydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-hexanone
IUPAC NAME: 1,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
SYSTEMATIC NAME: 6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,3,4,5-tetrakis(oxidanyl)hexan-2-one
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C(C1C(C(C(C(O1)OCC(C(C(C(=O)CO)O)O)O)O)O)O)O
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Product OPENEYE NAME: 4-[butyl(ethyl)sulfamoyl]-N-(4-tetralin-6-ylthiazol-2-yl)benzamide
CAS Name: 4-[butyl(ethyl)sulfamoyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-thiazolyl]benzamide
IUPAC NAME: 4-[butyl(ethyl)sulfamoyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-[butyl(ethyl)sulfamoyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C26H31N3O3S2
MOLECULAR WEIGHT: 497.67264
SMILES: CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(CCCC4)C=C3
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Product OPENEYE NAME: 4-benzyl-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]benzamide
CAS Name: N-[4-(4-ethoxyphenyl)-5-methyl-2-thiazolyl]-4-(phenylmethyl)benzamide
IUPAC NAME: 4-benzyl-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(phenylmethyl)benzamide
MOLECULAR FORMULA: C26H24N2O2S
MOLECULAR WEIGHT: 428.54596
SMILES: CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)C
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Product OPENEYE NAME: O6-ethyl O3-methyl 2-[(2-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O6-ethyl ester O3-methyl ester
IUPAC NAME: 6-O-ethyl 3-O-methyl 2-[(2-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
SYSTEMATIC NAME: O6-ethyl O3-methyl 2-[(2-methylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
MOLECULAR FORMULA: C20H22N2O5S
MOLECULAR WEIGHT: 402.46408
SMILES: CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3C
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Product OPENEYE NAME: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methyl-benzamide
CAS Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methylbenzamide
IUPAC NAME: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methylbenzamide
SYSTEMATIC NAME: N-(3-cyano-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methyl-benzamide
MOLECULAR FORMULA: C18H17N3O2S
MOLECULAR WEIGHT: 339.41148
SMILES: CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C#N
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Product OPENEYE NAME: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-bromo-benzamide
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-bromobenzamide
IUPAC NAME: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-bromobenzamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-bromanyl-benzamide
MOLECULAR FORMULA: C25H24BrN3OS2
MOLECULAR WEIGHT: 526.51156
SMILES: CC1(CC2=C(C(N1)(C)C)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)Br)C
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Product OPENEYE NAME: ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-6-methyl-thieno[2,3-d]thiazole-5-carboxylate
CAS Name: 2-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]amino]-6-methyl-5-thieno[2,3-d]thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylamino)-6-methyl-thieno[2,3-d][1,3]thiazole-5-carboxylate
MOLECULAR FORMULA: C14H14N2O5S2
MOLECULAR WEIGHT: 354.40136
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)C3=COCCO3)C
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Product OPENEYE NAME: 4-[(2-ethyl-1-piperidyl)sulfonyl]-N-[4-[2-[[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]amino]thiazol-4-yl]thiazol-2-yl]benzamide
CAS Name: 4-[(2-ethyl-1-piperidinyl)sulfonyl]-N-[4-[2-[[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-4-thiazolyl]-2-thiazolyl]benzamide
IUPAC NAME: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-[2-[[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-[2-[[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C34H40N6O6S4
MOLECULAR WEIGHT: 756.978
SMILES: CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CSC(=N4)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCCCC6CC
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Product OPENEYE NAME: methyl 2-(4-isopropoxybenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CAS Name: 3-(2-methoxyethyl)-2-[oxo-(4-propan-2-yloxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester
IUPAC NAME: methyl 3-(2-methoxyethyl)-2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: methyl 3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C22H24N2O5S
MOLECULAR WEIGHT: 428.50136
SMILES: CC(C)OC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCOC
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Product OPENEYE NAME: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-nitro-benzothiophene-2-carboxamide
CAS Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide
IUPAC NAME: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-nitro-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C19H14N4O6S2
MOLECULAR WEIGHT: 458.46766
SMILES: COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]
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