Tuesday, August 2, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 6-methylbenzo[a]anthracene
CAS Name: 6-methylbenzo[a]anthracene
IUPAC NAME: 6-methylbenzo[a]anthracene
SYSTEMATIC NAME: 6-methylbenzo[a]anthracene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: CC1=CC2=CC=CC=C2C3=CC4=CC=CC=C4C=C13
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Product OPENEYE NAME: N-butyl-1,2,3,4-tetrahydroacridin-9-amine
CAS Name: N-butyl-1,2,3,4-tetrahydroacridin-9-amine
IUPAC NAME: N-butyl-1,2,3,4-tetrahydroacridin-9-amine
SYSTEMATIC NAME: N-butyl-1,2,3,4-tetrahydroacridin-9-amine
MOLECULAR FORMULA: C17H22N2
MOLECULAR WEIGHT: 254.36998
SMILES: CCCCNC1=C2CCCCC2=NC3=CC=CC=C31
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H36N2O12S
MOLECULAR WEIGHT: 768.78504
SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]
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Product OPENEYE NAME: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine dihydrochloride
CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine dihydrochloride
IUPAC NAME: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine dihydrochloride
SYSTEMATIC NAME: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine dihydrochloride
MOLECULAR FORMULA: C29H42Cl2N2O4
MOLECULAR WEIGHT: 553.56078
SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl
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Product OPENEYE NAME: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
IUPAC NAME: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
SYSTEMATIC NAME: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
MOLECULAR FORMULA: C29H40N2O4
MOLECULAR WEIGHT: 480.6389
SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
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Product OPENEYE NAME: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-fluoropyrimidine-2,4-dione
IUPAC NAME: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11FN2O6
MOLECULAR WEIGHT: 262.191843
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F
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Product OPENEYE NAME: 3,9-dimethylbenzo[a]anthracene
CAS Name: 3,9-dimethylbenzo[a]anthracene
IUPAC NAME: 3,9-dimethylbenzo[a]anthracene
SYSTEMATIC NAME: 3,9-dimethylbenzo[a]anthracene
MOLECULAR FORMULA: C20H16
MOLECULAR WEIGHT: 256.34104
SMILES: CC1=CC2=C(C=C1)C3=CC4=C(C=C(C=C4)C)C=C3C=C2
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Product OPENEYE NAME: N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide
CAS Name: N,N-dimethyl-10-[3-(4-methyl-1-piperazinyl)propyl]-2-phenothiazinesulfonamide
IUPAC NAME: N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide
SYSTEMATIC NAME: N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide
MOLECULAR FORMULA: C22H30N4O2S2
MOLECULAR WEIGHT: 446.6292
SMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
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Product OPENEYE NAME: N-ethyl-5,6,7,8-tetrahydroacridin-1-amine
CAS Name: N-ethyl-5,6,7,8-tetrahydroacridin-1-amine
IUPAC NAME: N-ethyl-5,6,7,8-tetrahydroacridin-1-amine
SYSTEMATIC NAME: N-ethyl-5,6,7,8-tetrahydroacridin-1-amine
MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: CCNC1=CC=CC2=NC3=C(CCCC3)C=C21
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Product OPENEYE NAME: N-pentyl-1,2,3,4-tetrahydroacridin-9-amine
CAS Name: N-pentyl-1,2,3,4-tetrahydroacridin-9-amine
IUPAC NAME: N-pentyl-1,2,3,4-tetrahydroacridin-9-amine
SYSTEMATIC NAME: N-pentyl-1,2,3,4-tetrahydroacridin-9-amine
MOLECULAR FORMULA: C18H24N2
MOLECULAR WEIGHT: 268.39656
SMILES: CCCCCNC1=C2CCCCC2=NC3=CC=CC=C31
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Product OPENEYE NAME: N-methyl-5,6,7,8-tetrahydroacridin-1-amine
CAS Name: N-methyl-5,6,7,8-tetrahydroacridin-1-amine
IUPAC NAME: N-methyl-5,6,7,8-tetrahydroacridin-1-amine
SYSTEMATIC NAME: N-methyl-5,6,7,8-tetrahydroacridin-1-amine
MOLECULAR FORMULA: C14H16N2
MOLECULAR WEIGHT: 212.29024
SMILES: CNC1=CC=CC2=NC3=C(CCCC3)C=C21
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Product OPENEYE NAME: 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine
CAS Name: 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine
IUPAC NAME: 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine
SYSTEMATIC NAME: 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine
MOLECULAR FORMULA: C16H24N10O4
MOLECULAR WEIGHT: 420.42636
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N
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Product OPENEYE NAME: 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dibromide
CAS Name: 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)ammonio]hexyl]-dimethylammonium dibromide
IUPAC NAME: 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
SYSTEMATIC NAME: 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethyl-azanium dibromide
MOLECULAR FORMULA: C36H42Br2N2
MOLECULAR WEIGHT: 662.54008
SMILES: C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46.[Br-].[Br-]
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Product OPENEYE NAME: N-cyclohexylcyclohexanamine; 2-cyclohexyl-4,6-dinitro-phenol
CAS Name: N-cyclohexylcyclohexanamine; 2-cyclohexyl-4,6-dinitrophenol
IUPAC NAME: N-cyclohexylcyclohexanamine; 2-cyclohexyl-4,6-dinitrophenol
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; 2-cyclohexyl-4,6-dinitro-phenol
MOLECULAR FORMULA: C24H37N3O5
MOLECULAR WEIGHT: 447.56768
SMILES: C1CCC(CC1)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-].C1CCC(CC1)NC2CCCCC2
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Product OPENEYE NAME: 2,2,2-trifluoro-N-(9-oxofluoren-2-yl)acetamide
CAS Name: 2,2,2-trifluoro-N-(9-oxo-2-fluorenyl)acetamide
IUPAC NAME: 2,2,2-trifluoro-N-(9-oxofluoren-2-yl)acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-(9-oxidanylidenefluoren-2-yl)ethanamide
MOLECULAR FORMULA: C15H8F3NO2
MOLECULAR WEIGHT: 291.22473
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)NC(=O)C(F)(F)F
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