Thursday, June 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-amino-6-morpholino-4-thioxo-1H-pyrimidine-5-carbaldehyde
CAS Name: 2-amino-6-(4-morpholinyl)-4-sulfanylidene-1H-pyrimidine-5-carboxaldehyde
IUPAC NAME: 2-amino-6-morpholin-4-yl-4-sulfanylidene-1H-pyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 2-azanyl-6-morpholin-4-yl-4-sulfanylidene-1H-pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C9H12N4O2S
MOLECULAR WEIGHT: 240.28218
SMILES: C1COCCN1C2=C(C(=S)N=C(N2)N)C=O
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Product OPENEYE NAME: 1-(1-phenyl-1-phenylsulfanyl-but-3-enyl)benzotriazole
CAS Name: 1-[1-phenyl-1-(phenylthio)but-3-enyl]benzotriazole
IUPAC NAME: 1-(1-phenyl-1-phenylsulfanylbut-3-enyl)benzotriazole
SYSTEMATIC NAME: 1-(1-phenyl-1-phenylsulfanyl-but-3-enyl)benzotriazole
MOLECULAR FORMULA: C22H19N3S
MOLECULAR WEIGHT: 357.47136
SMILES: C=CCC(C1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)SC4=CC=CC=C4
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Product OPENEYE NAME: 2-pentylisothiazolo[5,4-b]pyridin-3-imine
CAS Name: 2-pentyl-3-isothiazolo[5,4-b]pyridinimine
IUPAC NAME: 2-pentyl-[1,2]thiazolo[5,4-b]pyridin-3-imine
SYSTEMATIC NAME: 2-pentyl-[1,2]thiazolo[5,4-b]pyridin-3-imine
MOLECULAR FORMULA: C11H15N3S
MOLECULAR WEIGHT: 221.3219
SMILES: CCCCCN1C(=N)C2=C(S1)N=CC=C2
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Product OPENEYE NAME: diethyl 2-[[(5-fluorobenzothiophen-2-yl)amino]methylene]propanedioate
CAS Name: 2-[[(5-fluoro-1-benzothiophen-2-yl)amino]methylidene]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[[(5-fluoro-1-benzothiophen-2-yl)amino]methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[[(5-fluoranyl-1-benzothiophen-2-yl)amino]methylidene]propanedioate
MOLECULAR FORMULA: C16H16FNO4S
MOLECULAR WEIGHT: 337.365943
SMILES: CCOC(=O)C(=CNC1=CC2=C(S1)C=CC(=C2)F)C(=O)OCC
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Product OPENEYE NAME: ethyl 6-fluoro-4-oxo-1H-benzothiopheno[2,3-b]pyridine-3-carboxylate
CAS Name: 6-fluoro-4-oxo-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6-fluoro-4-oxo-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-fluoranyl-4-oxidanylidene-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C14H10FNO3S
MOLECULAR WEIGHT: 291.297503
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C3=C(S2)C=CC(=C3)F
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Product OPENEYE NAME: ethyl 1-ethyl-6-fluoro-4-oxo-benzothiopheno[2,3-b]pyridine-3-carboxylate
CAS Name: 1-ethyl-6-fluoro-4-oxo-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 1-ethyl-6-fluoro-4-oxo-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-6-fluoranyl-4-oxidanylidene-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C16H14FNO3S
MOLECULAR WEIGHT: 319.350663
SMILES: CCN1C=C(C(=O)C2=C1SC3=C2C=C(C=C3)F)C(=O)OCC
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Product OPENEYE NAME: 1-ethyl-6-fluoro-4-oxo-benzothiopheno[2,3-b]pyridine-3-carboxylic acid
CAS Name: 1-ethyl-6-fluoro-4-oxo-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid
IUPAC NAME: 1-ethyl-6-fluoro-4-oxo-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-6-fluoranyl-4-oxidanylidene-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C14H10FNO3S
MOLECULAR WEIGHT: 291.297503
SMILES: CCN1C=C(C(=O)C2=C1SC3=C2C=C(C=C3)F)C(=O)O
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Product OPENEYE NAME: diethyl 2-[(benzothiophen-2-ylamino)methylene]propanedioate
CAS Name: 2-[(1-benzothiophen-2-ylamino)methylidene]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[(1-benzothiophen-2-ylamino)methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[(1-benzothiophen-2-ylamino)methylidene]propanedioate
MOLECULAR FORMULA: C16H17NO4S
MOLECULAR WEIGHT: 319.37548
SMILES: CCOC(=O)C(=CNC1=CC2=CC=CC=C2S1)C(=O)OCC
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Product OPENEYE NAME: ethyl 4-oxo-1H-benzothiopheno[2,3-b]pyridine-3-carboxylate
CAS Name: 4-oxo-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-oxo-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C14H11NO3S
MOLECULAR WEIGHT: 273.30704
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C3=CC=CC=C3S2
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Product OPENEYE NAME: ethyl 1-ethyl-4-oxo-benzothiopheno[2,3-b]pyridine-3-carboxylate
CAS Name: 1-ethyl-4-oxo-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 1-ethyl-4-oxo-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-ethyl-4-oxidanylidene-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C16H15NO3S
MOLECULAR WEIGHT: 301.3602
SMILES: CCN1C=C(C(=O)C2=C1SC3=CC=CC=C32)C(=O)OCC
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Product OPENEYE NAME: 1-ethyl-4-oxo-benzothiopheno[2,3-b]pyridine-3-carboxylic acid
CAS Name: 1-ethyl-4-oxo-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid
IUPAC NAME: 1-ethyl-4-oxo-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-4-oxidanylidene-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C14H11NO3S
MOLECULAR WEIGHT: 273.30704
SMILES: CCN1C=C(C(=O)C2=C1SC3=CC=CC=C32)C(=O)O
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Product OPENEYE NAME: 5-fluorobenzothiophen-2-amine
CAS Name: 5-fluoro-1-benzothiophen-2-amine
IUPAC NAME: 5-fluoro-1-benzothiophen-2-amine
SYSTEMATIC NAME: 5-fluoranyl-1-benzothiophen-2-amine
MOLECULAR FORMULA: C8H6FNS
MOLECULAR WEIGHT: 167.203343
SMILES: C1=CC2=C(C=C1F)C=C(S2)N
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Product OPENEYE NAME: 2-(2-benzylsulfanylphenyl)acetonitrile
CAS Name: 2-[2-(phenylmethylthio)phenyl]acetonitrile
IUPAC NAME: 2-(2-benzylsulfanylphenyl)acetonitrile
SYSTEMATIC NAME: 2-[2-(phenylmethylsulfanyl)phenyl]ethanenitrile
MOLECULAR FORMULA: C15H13NS
MOLECULAR WEIGHT: 239.33542
SMILES: C1=CC=C(C=C1)CSC2=CC=CC=C2CC#N
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Product OPENEYE NAME: N'-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)benzohydrazide
CAS Name: N'-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)benzohydrazide
IUPAC NAME: N'-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)benzohydrazide
SYSTEMATIC NAME: N'-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)benzohydrazide
MOLECULAR FORMULA: C15H15N3OS2
MOLECULAR WEIGHT: 317.4291
SMILES: CCC1=CC2=C(S1)SCC(=N2)NNC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl N-[(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)amino]carbamate
CAS Name: N-[(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)amino]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)amino]carbamate
SYSTEMATIC NAME: ethyl N-[(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)amino]carbamate
MOLECULAR FORMULA: C11H15N3O2S2
MOLECULAR WEIGHT: 285.3857
SMILES: CCC1=CC2=C(S1)SCC(=N2)NNC(=O)OCC
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H11N3S2
MOLECULAR WEIGHT: 237.34444
SMILES: CCC1=CC2=C(S1)SCC3=NN=C(N32)C
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Product OPENEYE NAME:
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H13N3S2
MOLECULAR WEIGHT: 299.41382
SMILES: CCC1=CC2=C(S1)SCC3=NN=C(N32)C4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C9H9N3OS2
MOLECULAR WEIGHT: 239.31726
SMILES: CCC1=CC2=C(S1)SCC3=NNC(=O)N32
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Product OPENEYE NAME: 4-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)morpholine
CAS Name: 4-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)morpholine
IUPAC NAME: 4-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)morpholine
SYSTEMATIC NAME: 4-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)morpholine
MOLECULAR FORMULA: C12H16N2OS2
MOLECULAR WEIGHT: 268.39824
SMILES: CCC1=CC2=C(S1)SCC(=N2)N3CCOCC3
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Product OPENEYE NAME: 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-b][1,4]thiazine
CAS Name: 6-ethyl-2-(1-pyrrolidinyl)-3H-thieno[2,3-b][1,4]thiazine
IUPAC NAME: 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-b][1,4]thiazine
SYSTEMATIC NAME: 6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-b][1,4]thiazine
MOLECULAR FORMULA: C12H16N2S2
MOLECULAR WEIGHT: 252.39884
SMILES: CCC1=CC2=C(S1)SCC(=N2)N3CCCC3
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Product OPENEYE NAME: 6-ethyl-2-(1-piperidyl)-3H-thieno[2,3-b][1,4]thiazine
CAS Name: 6-ethyl-2-(1-piperidinyl)-3H-thieno[2,3-b][1,4]thiazine
IUPAC NAME: 6-ethyl-2-piperidin-1-yl-3H-thieno[2,3-b][1,4]thiazine
SYSTEMATIC NAME: 6-ethyl-2-piperidin-1-yl-3H-thieno[2,3-b][1,4]thiazine
MOLECULAR FORMULA: C13H18N2S2
MOLECULAR WEIGHT: 266.42542
SMILES: CCC1=CC2=C(S1)SCC(=N2)N3CCCCC3
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Product OPENEYE NAME: N-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)hydroxylamine
CAS Name: N-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)hydroxylamine
IUPAC NAME: N-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)hydroxylamine
SYSTEMATIC NAME: N-(6-ethyl-3H-thieno[2,3-b][1,4]thiazin-2-yl)hydroxylamine
MOLECULAR FORMULA: C8H10N2OS2
MOLECULAR WEIGHT: 214.3078
SMILES: CCC1=CC2=C(S1)SCC(=N2)NO
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MOLECULAR FORMULA: C15H12N2OS2
MOLECULAR WEIGHT: 300.39858
SMILES: CCC1=CC2=C(S1)SCC3=NC4=CC=CC=C4C(=O)N32
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