Thursday, April 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(2-cyano-3-thienyl)pyrrole-2-carboxylic acid
CAS Name: 1-(2-cyano-3-thiophenyl)-2-pyrrolecarboxylic acid
IUPAC NAME: 1-(2-cyanothiophen-3-yl)pyrrole-2-carboxylic acid
SYSTEMATIC NAME: 1-(2-cyanothiophen-3-yl)pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C10H6N2O2S
MOLECULAR WEIGHT: 218.23184
SMILES: C1=CN(C(=C1)C(=O)O)C2=C(SC=C2)C#N
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Product OPENEYE NAME: 1-(2-cyano-3-thienyl)pyrrole-2-carbonyl azide
CAS Name: 3-(2-carbonazidoyl-1-pyrrolyl)-2-thiophenecarbonitrile
IUPAC NAME: 1-(2-cyanothiophen-3-yl)pyrrole-2-carbonyl azide
SYSTEMATIC NAME: 3-(2-carbonazidoylpyrrol-1-yl)thiophene-2-carbonitrile
MOLECULAR FORMULA: C10H5N5OS
MOLECULAR WEIGHT: 243.2446
SMILES: C1=CN(C(=C1)C(=O)N=[N+]=[N-])C2=C(SC=C2)C#N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H7N3S
MOLECULAR WEIGHT: 189.23698
SMILES: C1=CN2C3=C(C(=NC2=C1)N)SC=C3
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Product OPENEYE NAME: O-methyl cyclohexanecarbothioate
CAS Name: cyclohexanecarbothioic acid O-methyl ester
IUPAC NAME: O-methyl cyclohexanecarbothioate
SYSTEMATIC NAME: O-methyl cyclohexanecarbothioate
MOLECULAR FORMULA: C8H14OS
MOLECULAR WEIGHT: 158.26116
SMILES: COC(=S)C1CCCCC1
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Product OPENEYE NAME: O-methyl furan-2-carbothioate
CAS Name: 2-furancarbothioic acid O-methyl ester
IUPAC NAME: O-methyl furan-2-carbothioate
SYSTEMATIC NAME: O-methyl furan-2-carbothioate
MOLECULAR FORMULA: C6H6O2S
MOLECULAR WEIGHT: 142.17564
SMILES: COC(=S)C1=CC=CO1
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Product OPENEYE NAME: O-methyl pyridine-3-carbothioate
CAS Name: 3-pyridinecarbothioic acid O-methyl ester
IUPAC NAME: O-methyl pyridine-3-carbothioate
SYSTEMATIC NAME: O-methyl pyridine-3-carbothioate
MOLECULAR FORMULA: C7H7NOS
MOLECULAR WEIGHT: 153.20158
SMILES: COC(=S)C1=CN=CC=C1
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Product OPENEYE NAME: 5-cyclohexylthiadiazole
CAS Name: 5-cyclohexylthiadiazole
IUPAC NAME: 5-cyclohexylthiadiazole
SYSTEMATIC NAME: 5-cyclohexyl-1,2,3-thiadiazole
MOLECULAR FORMULA: C8H12N2S
MOLECULAR WEIGHT: 168.25928
SMILES: C1CCC(CC1)C2=CN=NS2
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Product OPENEYE NAME: 4-(1-methylpyrrol-2-yl)pyridine
CAS Name: 4-(1-methyl-2-pyrrolyl)pyridine
IUPAC NAME: 4-(1-methylpyrrol-2-yl)pyridine
SYSTEMATIC NAME: 4-(1-methylpyrrol-2-yl)pyridine
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: CN1C=CC=C1C2=CC=NC=C2
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Product OPENEYE NAME: 2-(4-pyridyl)pyridin-3-amine
CAS Name: 2-pyridin-4-yl-3-pyridinamine
IUPAC NAME: 2-pyridin-4-ylpyridin-3-amine
SYSTEMATIC NAME: 2-pyridin-4-ylpyridin-3-amine
MOLECULAR FORMULA: C10H9N3
MOLECULAR WEIGHT: 171.19856
SMILES: C1=CC(=C(N=C1)C2=CC=NC=C2)N
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Product OPENEYE NAME: 4-(4-pyridyl)pyridin-3-amine
CAS Name: 4-pyridin-4-yl-3-pyridinamine
IUPAC NAME: 4-pyridin-4-ylpyridin-3-amine
SYSTEMATIC NAME: 4-pyridin-4-ylpyridin-3-amine
MOLECULAR FORMULA: C10H9N3
MOLECULAR WEIGHT: 171.19856
SMILES: C1=CN=CC=C1C2=C(C=NC=C2)N
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Product OPENEYE NAME: N,N-dimethyl-2-(4-pyridyl)pyridin-3-amine
CAS Name: N,N-dimethyl-2-pyridin-4-yl-3-pyridinamine
IUPAC NAME: N,N-dimethyl-2-pyridin-4-ylpyridin-3-amine
SYSTEMATIC NAME: N,N-dimethyl-2-pyridin-4-yl-pyridin-3-amine
MOLECULAR FORMULA: C12H13N3
MOLECULAR WEIGHT: 199.25172
SMILES: CN(C)C1=C(N=CC=C1)C2=CC=NC=C2
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Product OPENEYE NAME: N,N-dimethyl-4-(4-pyridyl)pyridin-3-amine
CAS Name: N,N-dimethyl-4-pyridin-4-yl-3-pyridinamine
IUPAC NAME: N,N-dimethyl-4-pyridin-4-ylpyridin-3-amine
SYSTEMATIC NAME: N,N-dimethyl-4-pyridin-4-yl-pyridin-3-amine
MOLECULAR FORMULA: C12H13N3
MOLECULAR WEIGHT: 199.25172
SMILES: CN(C)C1=C(C=CN=C1)C2=CC=NC=C2
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Product OPENEYE NAME: N,N-dimethyl-6-(4-pyridyl)pyridin-3-amine
CAS Name: N,N-dimethyl-6-pyridin-4-yl-3-pyridinamine
IUPAC NAME: N,N-dimethyl-6-pyridin-4-ylpyridin-3-amine
SYSTEMATIC NAME: N,N-dimethyl-6-pyridin-4-yl-pyridin-3-amine
MOLECULAR FORMULA: C12H13N3
MOLECULAR WEIGHT: 199.25172
SMILES: CN(C)C1=CN=C(C=C1)C2=CC=NC=C2
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Product OPENEYE NAME: 3-pentadecylisochromen-1-one
CAS Name: 3-pentadecyl-2-benzopyran-1-one
IUPAC NAME: 3-pentadecylisochromen-1-one
SYSTEMATIC NAME: 3-pentadecylisochromen-1-one
MOLECULAR FORMULA: C24H36O2
MOLECULAR WEIGHT: 356.54144
SMILES: CCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=O)O1
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Product OPENEYE NAME: 6,8-dihydroxy-3-pentyl-isochromen-1-one
CAS Name: 6,8-dihydroxy-3-pentyl-2-benzopyran-1-one
IUPAC NAME: 6,8-dihydroxy-3-pentylisochromen-1-one
SYSTEMATIC NAME: 6,8-bis(oxidanyl)-3-pentyl-isochromen-1-one
MOLECULAR FORMULA: C14H16O4
MOLECULAR WEIGHT: 248.27444
SMILES: CCCCCC1=CC2=CC(=CC(=C2C(=O)O1)O)O
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Product OPENEYE NAME: N,N,3-trimethyl-1-oxo-2,5-dihydro-1$l^{5}-phosphol-1-amine
CAS Name: N,N,3-trimethyl-1-oxo-2,5-dihydro-1$l^{5}-phosphol-1-amine
IUPAC NAME: N,N,3-trimethyl-1-oxo-2,5-dihydro-1$l^{5}-phosphol-1-amine
SYSTEMATIC NAME: N,N,3-trimethyl-1-oxidanylidene-2,5-dihydro-1$l^{5}-phosphol-1-amine
MOLECULAR FORMULA: C7H14NOP
MOLECULAR WEIGHT: 159.165921
SMILES: CC1=CCP(=O)(C1)N(C)C
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Product OPENEYE NAME: N,N-diethyl-3-methyl-1-oxo-2,5-dihydro-1$l^{5}-phosphol-1-amine
CAS Name: N,N-diethyl-3-methyl-1-oxo-2,5-dihydro-1$l^{5}-phosphol-1-amine
IUPAC NAME: N,N-diethyl-3-methyl-1-oxo-2,5-dihydro-1$l^{5}-phosphol-1-amine
SYSTEMATIC NAME: N,N-diethyl-3-methyl-1-oxidanylidene-2,5-dihydro-1$l^{5}-phosphol-1-amine
MOLECULAR FORMULA: C9H18NOP
MOLECULAR WEIGHT: 187.219081
SMILES: CCN(CC)P1(=O)CC=C(C1)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21N2O3P
MOLECULAR WEIGHT: 344.344701
SMILES: CC1=C([C@H]2[C@@H]3[C@H]([C@@H]1P2(=O)N(C)C)C(=O)N(C3=O)C4=CC=CC=C4)C
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Product OPENEYE NAME: 5,5-diphenyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-dioxa-1-aza-5$l^{5}-phosphabicyclo[3.2.0]heptane-2-thione
CAS Name: 5,5-diphenyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-dioxa-1-aza-5$l^{5}-phosphabicyclo[3.2.0]heptane-2-thione
IUPAC NAME: 5,5-diphenyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-dioxa-1-aza-5$l^{5}-phosphabicyclo[3.2.0]heptane-2-thione
SYSTEMATIC NAME: 5,5-diphenyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-dioxa-1-aza-5$l^{5}-phosphabicyclo[3.2.0]heptane-2-thione
MOLECULAR FORMULA: C19H10F12NO2PS
MOLECULAR WEIGHT: 575.307799
SMILES: C1=CC=C(C=C1)P23(N(C(=S)C(O2)(C(F)(F)F)C(F)(F)F)C(O3)(C(F)(F)F)C(F)(F)F)C4=CC=CC=C4
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Product OPENEYE NAME: 1,1-diphenyl-3,3,5,5,8,8-hexakis(trifluoromethyl)-2,4,9-trioxa-7-aza-1$l^{5}-phosphabicyclo[4.3.0]non-6-ene
CAS Name: 1,1-diphenyl-3,3,5,5,8,8-hexakis(trifluoromethyl)-2,4,9-trioxa-7-aza-1$l^{5}-phosphabicyclo[4.3.0]non-6-ene
IUPAC NAME: 1,1-diphenyl-3,3,5,5,8,8-hexakis(trifluoromethyl)-2,4,9-trioxa-7-aza-1$l^{5}-phosphabicyclo[4.3.0]non-6-ene
SYSTEMATIC NAME: 1,1-diphenyl-3,3,5,5,8,8-hexakis(trifluoromethyl)-2,4,9-trioxa-7-aza-1$l^{5}-phosphabicyclo[4.3.0]non-6-ene
MOLECULAR FORMULA: C22H10F18NO3P
MOLECULAR WEIGHT: 709.264719
SMILES: C1=CC=C(C=C1)P23(C(=NC(O2)(C(F)(F)F)C(F)(F)F)C(OC(O3)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C4=CC=CC=C4
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Product OPENEYE NAME: 2,3,5,6-tetramethyl-2,3,5,6-tetraza-1,4-diphosphabicyclo[2.2.1]heptane
CAS Name: 2,3,5,6-tetramethyl-2,3,5,6-tetraza-1,4-diphosphabicyclo[2.2.1]heptane
IUPAC NAME: 2,3,5,6-tetramethyl-2,3,5,6-tetraza-1,4-diphosphabicyclo[2.2.1]heptane
SYSTEMATIC NAME: 2,3,5,6-tetramethyl-2,3,5,6-tetraza-1,4-diphosphabicyclo[2.2.1]heptane
MOLECULAR FORMULA: C5H14N4P2
MOLECULAR WEIGHT: 192.138982
SMILES: CN1N(P2CP1N(N2C)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H12N4O2P2
MOLECULAR WEIGHT: 294.186102
SMILES: CN1N(P2CP1N3N2C(=O)C4=CC=CC=C4C3=O)C
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