Tuesday, July 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [(2R,3S,4R,5R)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl] 2,2,2-trichloroethanimidate
CAS Name: 2,2,2-trichloroethanimidic acid [(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl] ester
IUPAC NAME: [(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] 2,2,2-trichloroethanimidate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl] 2,2,2-tris(chloranyl)ethanimidate
MOLECULAR FORMULA: C28H28Cl3NO5
MOLECULAR WEIGHT: 564.88462
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](O2)OC(=N)C(Cl)(Cl)Cl)OCC3=CC=CC=C3)OCC4=CC=CC=C4
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Product OPENEYE NAME: (E)-2-(benzothiophen-3-yl)-3-(o-tolyl)prop-2-enenitrile
CAS Name: (E)-2-(1-benzothiophen-3-yl)-3-(2-methylphenyl)-2-propenenitrile
IUPAC NAME: (E)-2-(1-benzothiophen-3-yl)-3-(2-methylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(1-benzothiophen-3-yl)-3-(2-methylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C18H13NS
MOLECULAR WEIGHT: 275.36752
SMILES: CC1=CC=CC=C1/C=C(/C#N)\C2=CSC3=CC=CC=C32
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Product OPENEYE NAME: (E)-2-(benzothiophen-3-yl)-3-(p-tolyl)prop-2-enenitrile
CAS Name: (E)-2-(1-benzothiophen-3-yl)-3-(4-methylphenyl)-2-propenenitrile
IUPAC NAME: (E)-2-(1-benzothiophen-3-yl)-3-(4-methylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(1-benzothiophen-3-yl)-3-(4-methylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C18H13NS
MOLECULAR WEIGHT: 275.36752
SMILES: CC1=CC=C(C=C1)/C=C(/C#N)\C2=CSC3=CC=CC=C32
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Product OPENEYE NAME: (E)-2-(benzothiophen-3-yl)-3-(m-tolyl)prop-2-enenitrile
CAS Name: (E)-2-(1-benzothiophen-3-yl)-3-(3-methylphenyl)-2-propenenitrile
IUPAC NAME: (E)-2-(1-benzothiophen-3-yl)-3-(3-methylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(1-benzothiophen-3-yl)-3-(3-methylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C18H13NS
MOLECULAR WEIGHT: 275.36752
SMILES: CC1=CC=CC(=C1)/C=C(/C#N)\C2=CSC3=CC=CC=C32
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28NS+
MOLECULAR WEIGHT: 338.52942
SMILES: C[N+]1(CC[C@@]23CCCCC2[C@@H]1CC4=C3C=CS4)CC5=CC=CC=C5
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Product OPENEYE NAME: 1-(2-thienylmethyl)-3,4,5,6,7,8-hexahydroisoquinoline
CAS Name: 1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydroisoquinoline
IUPAC NAME: 1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydroisoquinoline
SYSTEMATIC NAME: 1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydroisoquinoline
MOLECULAR FORMULA: C14H17NS
MOLECULAR WEIGHT: 231.35648
SMILES: C1CCC2=C(C1)CCN=C2CC3=CC=CS3
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Product OPENEYE NAME: 1-(2-thienylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde
CAS Name: 1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxaldehyde
IUPAC NAME: 1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde
SYSTEMATIC NAME: 1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde
MOLECULAR FORMULA: C15H19NOS
MOLECULAR WEIGHT: 261.38246
SMILES: C1CCC2=C(C1)CCN(C2CC3=CC=CS3)C=O
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Product OPENEYE NAME: 1-(2-thienylmethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
CAS Name: 1-(thiophen-2-ylmethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
IUPAC NAME: 1-(thiophen-2-ylmethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
SYSTEMATIC NAME: 1-(thiophen-2-ylmethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
MOLECULAR FORMULA: C14H19NS
MOLECULAR WEIGHT: 233.37236
SMILES: C1CCC2=C(C1)CCNC2CC3=CC=CS3
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Product OPENEYE NAME: (3,5-dinitrophenyl)-[1-(2-thienylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinolin-2-yl]methanone
CAS Name: (3,5-dinitrophenyl)-[1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinolin-2-yl]methanone
IUPAC NAME: (3,5-dinitrophenyl)-[1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinolin-2-yl]methanone
SYSTEMATIC NAME: (3,5-dinitrophenyl)-[1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinolin-2-yl]methanone
MOLECULAR FORMULA: C21H21N3O5S
MOLECULAR WEIGHT: 427.47354
SMILES: C1CCC2=C(C1)CCN(C2CC3=CC=CS3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-methyl-1-(2-thienylmethyl)-3,4,5,6,7,8-hexahydroisoquinolin-2-ium
CAS Name: 2-methyl-1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydroisoquinolin-2-ium
IUPAC NAME: 2-methyl-1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydroisoquinolin-2-ium
SYSTEMATIC NAME: 2-methyl-1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydroisoquinolin-2-ium
MOLECULAR FORMULA: C15H20NS+
MOLECULAR WEIGHT: 246.391
SMILES: C[N+]1=C(C2=C(CCCC2)CC1)CC3=CC=CS3
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Product OPENEYE NAME: 2-methyl-1-(2-thienylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
CAS Name: 2-methyl-1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
IUPAC NAME: 2-methyl-1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
SYSTEMATIC NAME: 2-methyl-1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
MOLECULAR FORMULA: C15H21NS
MOLECULAR WEIGHT: 247.39894
SMILES: CN1CCC2=C(C1CC3=CC=CS3)CCCC2
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Product OPENEYE NAME: 2-benzyl-1-(2-thienylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
CAS Name: 2-(phenylmethyl)-1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
IUPAC NAME: 2-benzyl-1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
SYSTEMATIC NAME: 2-(phenylmethyl)-1-(thiophen-2-ylmethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
MOLECULAR FORMULA: C21H25NS
MOLECULAR WEIGHT: 323.4949
SMILES: C1CCC2=C(C1)CCN(C2CC3=CC=CS3)CC4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H21NS
MOLECULAR WEIGHT: 247.39894
SMILES: CN1CC[C@@]23CCCCC2[C@@H]1CC4=C3C=CS4
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25NS
MOLECULAR WEIGHT: 323.4949
SMILES: C1CC[C@]23CCN([C@H](C2C1)CC4=C3C=CS4)CC5=CC=CC=C5
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C15H18N2S
MOLECULAR WEIGHT: 258.38182
SMILES: C1CC[C@]23CCN([C@H](C2C1)CC4=C3C=CS4)C#N
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C17H23NO2S
MOLECULAR WEIGHT: 305.43502
SMILES: CCOC(=O)N1CC[C@@]23CCCCC2[C@@H]1CC4=C3C=CS4
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