Monday, October 8, 2012

http://ChemLookup.com Compounds




CAS RN: 5348-89-0
CAS Name: (3aR)-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one
OPENEYE Name: (3aR)-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one
IUPAC Name: (3aR)-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
SYSTEMATIC NAME: (3aR)-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
MOLECULAR FORMULA: C15H20O2
MOLECULAR WEIGHT: 232.3181
SMILES: CC1=C2C3[C@H](CCC2(CCC1)C)C(=C)C(=O)O3
Structure:

CAS RN: 40246-10-4
CAS Name: 3-(4-hydroxyphenyl)-6-methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-4-one
MOLECULAR FORMULA: C22H22O10
MOLECULAR WEIGHT: 446.40408
SMILES: COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:

CAS RN: 5245-87-4
CAS Name: 2-acetyloxy-2-(1-acetyloxyethyl)-3-methylbutanoic acid (7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl ester
OPENEYE Name: (7-acetoxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-acetoxy-2-(1-acetoxyethyl)-3-methyl-butanoate
IUPAC Name: (7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-acetyloxy-2-(1-acetyloxyethyl)-3-methylbutanoate
SYSTEMATIC NAME: (7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-acetyloxy-2-(1-acetyloxyethyl)-3-methyl-butanoate
MOLECULAR FORMULA: C21H31NO8
MOLECULAR WEIGHT: 425.47274
SMILES: CC(C)C(C(C)OC(=O)C)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C)OC(=O)C
Structure:

CAS RN: 961-07-9
CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O
Structure:

CAS RN: 116002-28-9
CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O
Structure:

CAS RN: 38559-49-8
CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O
Structure:

CAS RN: 37675-18-6
CAS Name: (3S)-3-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl (3S)-piperidine-3-carboxylate
IUPAC Name: ethyl (3S)-piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3S)-piperidine-3-carboxylate
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: CCOC(=O)[C@H]1CCCNC1
Structure:

CAS RN: 424-16-8
CAS Name: copper(1+) arsorite
OPENEYE Name: tricuprous arsorite
IUPAC Name: copper(1+) arsorite
SYSTEMATIC NAME: copper(1+) arsorite
MOLECULAR FORMULA: AsCu3O3
MOLECULAR WEIGHT: 313.5578
SMILES: [O-][As]([O-])[O-].[Cu+].[Cu+].[Cu+]
Structure:

CAS RN: 4228-66-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H17Cl7N2O2S2
MOLECULAR WEIGHT: 581.61938
SMILES: CN(C)C(=O)SSC(=O)N(C)C.C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl
Structure:

CAS RN: 16034-40-5
CAS Name: butanedioic acid; 4-(3-methyl-1-piperidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone
OPENEYE Name: 4-(3-methyl-1-piperidyl)-1-(2,4,6-trimethoxyphenyl)butan-1-one; succinic acid
IUPAC Name: butanedioic acid; 4-(3-methylpiperidin-1-yl)-1-(2,4,6-trimethoxyphenyl)butan-1-one
SYSTEMATIC NAME: butanedioic acid; 4-(3-methylpiperidin-1-yl)-1-(2,4,6-trimethoxyphenyl)butan-1-one
MOLECULAR FORMULA: C23H35NO8
MOLECULAR WEIGHT: 453.5259
SMILES: CC1CCCN(C1)CCCC(=O)C2=C(C=C(C=C2OC)OC)OC.C(CC(=O)O)C(=O)O
Structure:

CAS RN: 38915-61-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H25NO
MOLECULAR WEIGHT: 259.3865
SMILES: CC[C@H]1[C@@H]2CC3=C([C@]1(CCN2C)CC)C=C(C=C3)O
Structure:

CAS RN: 39263-81-5
CAS Name: 6-methyl-8H-tetrazolo[1,5-c]pyrimidine-5,7-dione
OPENEYE Name: 6-methyl-8H-tetrazolo[1,5-c]pyrimidine-5,7-dione
IUPAC Name: 6-methyl-8H-tetrazolo[1,5-c]pyrimidine-5,7-dione
SYSTEMATIC NAME: 6-methyl-8H-[1,2,3,4]tetrazolo[1,5-c]pyrimidine-5,7-dione
MOLECULAR FORMULA: C5H5N5O2
MOLECULAR WEIGHT: 167.1255
SMILES: CN1C(=O)CC2=NN=NN2C1=O
Structure:

CAS RN: 65761-24-2
CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[4-[(6-methoxy-3-pyridazinyl)sulfamoyl]anilino]methanesulfonic acid
OPENEYE Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]methanesulfonic acid
IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]methanesulfonic acid
SYSTEMATIC NAME: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]amino]methanesulfonic acid
MOLECULAR FORMULA: C23H24N6O7S2
MOLECULAR WEIGHT: 560.60266
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)OC)S(=O)(=O)O
Structure:

CAS RN: 5342-90-5
CAS Name: 2-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N,N-dimethylethanamine
OPENEYE Name: 2-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N,N-dimethyl-ethanamine
IUPAC Name: 2-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C20H25NS
MOLECULAR WEIGHT: 311.4842
SMILES: CC1(C2=CC=CC=C2C(S1)(CCN(C)C)C3=CC=CC=C3)C
Structure:

CAS RN: 248271-61-6
CAS Name: (2S,3S,4S,5R,6R)-6-[4-(4-acetamidophenyl)anilino]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[4-(4-acetamidophenyl)anilino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-6-[4-(4-acetamidophenyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[4-(4-acetamidophenyl)phenyl]amino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C20H22N2O7
MOLECULAR WEIGHT: 402.39788
SMILES: CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
Structure:

CAS RN: 87919-18-4
CAS Name: 1-(2-hydroxyethyl)-3-(4-methoxyphenyl)urea
OPENEYE Name: 1-(2-hydroxyethyl)-3-(4-methoxyphenyl)urea
IUPAC Name: 1-(2-hydroxyethyl)-3-(4-methoxyphenyl)urea
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-3-(4-methoxyphenyl)urea
MOLECULAR FORMULA: C10H14N2O3
MOLECULAR WEIGHT: 210.22976
SMILES: COC1=CC=C(C=C1)NC(=O)NCCO
Structure:

CAS RN: 86971-07-5
CAS Name: acetic acid (2-acetamido-8a-acetyl-6,7-dihydroxy-6-methyl-4-oxo-4a,5,7,8-tetrahydro-3H-quinazolin-8-yl) ester; dioxoosmium
OPENEYE Name: (2-acetamido-8a-acetyl-6,7-dihydroxy-6-methyl-4-oxo-4a,5,7,8-tetrahydro-3H-quinazolin-8-yl) acetate; dioxoosmium
IUPAC Name: (2-acetamido-8a-acetyl-6,7-dihydroxy-6-methyl-4-oxo-4a,5,7,8-tetrahydro-3H-quinazolin-8-yl) acetate; dioxoosmium
SYSTEMATIC NAME: [2-acetamido-8a-ethanoyl-6-methyl-6,7-bis(oxidanyl)-4-oxidanylidene-4a,5,7,8-tetrahydro-3H-quinazolin-8-yl] ethanoate; bis(oxidanylidene)osmium
MOLECULAR FORMULA: C15H21N3O9Os
MOLECULAR WEIGHT: 577.57194
SMILES: CC(=O)C12C(CC(C(C1OC(=O)C)O)(C)O)C(=O)NC(=N2)NC(=O)C.O=[Os]=O
Structure:

CAS RN: 85945-23-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C(C(C5C4O5)O)O
Structure:

CAS RN: 65143-04-6
CAS Name: [methyl-(propylthio)phosphoryl]oxycyclopentane
OPENEYE Name: [methyl(propylsulfanyl)phosphoryl]oxycyclopentane
IUPAC Name: [methyl(propylsulfanyl)phosphoryl]oxycyclopentane
SYSTEMATIC NAME: [methyl(propylsulfanyl)phosphoryl]oxycyclopentane
MOLECULAR FORMULA: C9H19O2PS
MOLECULAR WEIGHT: 222.284721
SMILES: CCCSP(=O)(C)OC1CCCC1
Structure:

CAS RN: 65167-61-5
CAS Name: [methyl-(propylthio)phosphoryl]oxycyclopentane
OPENEYE Name: [methyl(propylsulfanyl)phosphoryl]oxycyclopentane
IUPAC Name: [methyl(propylsulfanyl)phosphoryl]oxycyclopentane
SYSTEMATIC NAME: [methyl(propylsulfanyl)phosphoryl]oxycyclopentane
MOLECULAR FORMULA: C9H19O2PS
MOLECULAR WEIGHT: 222.284721
SMILES: CCCSP(=O)(C)OC1CCCC1
Structure:

CAS RN: 65167-62-6
CAS Name: [methyl-(propylthio)phosphoryl]oxycyclopentane
OPENEYE Name: [methyl(propylsulfanyl)phosphoryl]oxycyclopentane
IUPAC Name: [methyl(propylsulfanyl)phosphoryl]oxycyclopentane
SYSTEMATIC NAME: [methyl(propylsulfanyl)phosphoryl]oxycyclopentane
MOLECULAR FORMULA: C9H19O2PS
MOLECULAR WEIGHT: 222.284721
SMILES: CCCSP(=O)(C)OC1CCCC1
Structure:

CAS RN: 113678-92-5
CAS Name: 3-(trifluoromethyl)benzene-1,2-diol
OPENEYE Name: 3-(trifluoromethyl)benzene-1,2-diol
IUPAC Name: 3-(trifluoromethyl)benzene-1,2-diol
SYSTEMATIC NAME: 3-(trifluoromethyl)benzene-1,2-diol
MOLECULAR FORMULA: C7H5F3O2
MOLECULAR WEIGHT: 178.10861
SMILES: C1=CC(=C(C(=C1)O)O)C(F)(F)F
Structure:

CAS RN: 143192-49-8
CAS Name: benzoic acid [(2S,3S)-3-benzoyloxy-2,3-dihydrofluoranthen-2-yl] ester
OPENEYE Name: [(2S,3S)-3-benzoyloxy-2,3-dihydrofluoranthen-2-yl] benzoate
IUPAC Name: [(2S,3S)-3-benzoyloxy-2,3-dihydrofluoranthen-2-yl] benzoate
SYSTEMATIC NAME: [(2S,3S)-3-(phenylcarbonyloxy)-2,3-dihydrofluoranthen-2-yl] benzoate
MOLECULAR FORMULA: C30H20O4
MOLECULAR WEIGHT: 444.4774
SMILES: C1=CC=C(C=C1)C(=O)O[C@H]2C=C3C4=CC=CC=C4C5=C3C(=CC=C5)[C@@H]2OC(=O)C6=CC=CC=C6
Structure:

CAS RN: 80399-26-4
CAS Name: 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid [4-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-oxoethoxy]-3,4-dihydrobenzo[a]anthracen-3-yl] ester
OPENEYE Name: [4-[2-(2-isopropyl-5-methyl-cyclohexoxy)acetyl]oxy-3,4-dihydrobenzo[a]anthracen-3-yl] 2-(2-isopropyl-5-methyl-cyclohexoxy)acetate
IUPAC Name: [4-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-3,4-dihydrobenzo[a]anthracen-3-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
SYSTEMATIC NAME: [4-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoyloxy]-3,4-dihydrobenzo[a]anthracen-3-yl] 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoate
MOLECULAR FORMULA: C42H54O6
MOLECULAR WEIGHT: 654.87456
SMILES: CC1CCC(C(C1)OCC(=O)OC2C=CC3=C(C2OC(=O)COC4CC(CCC4C(C)C)C)C=CC5=CC6=CC=CC=C6C=C53)C(C)C
Structure:

CAS RN: 80124-65-8
CAS Name: (3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol
OPENEYE Name: (3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol
IUPAC Name: (3S,4S)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol
SYSTEMATIC NAME: (3S,4S)-3-bromanyl-1,2,3,4-tetrahydrochrysen-4-ol
MOLECULAR FORMULA: C18H15BrO
MOLECULAR WEIGHT: 327.2151
SMILES: C1CC2=C([C@@H]([C@H]1Br)O)C3=C(C=C2)C4=CC=CC=C4C=C3
Structure:

CAS RN: 57260-73-8
CAS Name: N-(2-aminoethyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(2-aminoethyl)carbamate
IUPAC Name: tert-butyl N-(2-aminoethyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(2-azanylethyl)carbamate
MOLECULAR FORMULA: C7H16N2O2
MOLECULAR WEIGHT: 160.21414
SMILES: CC(C)(C)OC(=O)NCCN
Structure:

CAS RN: 79513-35-2
CAS Name: N-(2-aminoethyl)carbamic acid tert-butyl ester hydrochloride
OPENEYE Name: tert-butyl N-(2-aminoethyl)carbamate hydrochloride
IUPAC Name: tert-butyl N-(2-aminoethyl)carbamate hydrochloride
SYSTEMATIC NAME: tert-butyl N-(2-azanylethyl)carbamate hydrochloride
MOLECULAR FORMULA: C7H17ClN2O2
MOLECULAR WEIGHT: 196.67508
SMILES: CC(C)(C)OC(=O)NCCN.Cl
Structure:

CAS RN: 78886-45-0
CAS Name: (4-methyl-2-thiazolyl)hydrazine
OPENEYE Name: (4-methylthiazol-2-yl)hydrazine
IUPAC Name: (4-methyl-1,3-thiazol-2-yl)hydrazine
SYSTEMATIC NAME: (4-methyl-1,3-thiazol-2-yl)diazane
MOLECULAR FORMULA: C4H7N3S
MOLECULAR WEIGHT: 129.18348
SMILES: CC1=CSC(=N1)NN
Structure:

CAS RN: 78400-24-5
CAS Name: [ethoxy-(2-ethoxyethylthio)phosphoryl]oxybenzene
OPENEYE Name: [ethoxy(2-ethoxyethylsulfanyl)phosphoryl]oxybenzene
IUPAC Name: [ethoxy(2-ethoxyethylsulfanyl)phosphoryl]oxybenzene
SYSTEMATIC NAME: [ethoxy(2-ethoxyethylsulfanyl)phosphoryl]oxybenzene
MOLECULAR FORMULA: C12H19O4PS
MOLECULAR WEIGHT: 290.315621
SMILES: CCOCCSP(=O)(OCC)OC1=CC=CC=C1
Structure:

CAS RN: 62696-74-6
CAS Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-[[(7R,8S,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
OPENEYE Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[[(7R,8S,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7R,8S,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
SYSTEMATIC NAME: 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[(7R,8S,9S,10R)-7,8,9-tris(oxidanyl)-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
MOLECULAR FORMULA: C30H27N5O8
MOLECULAR WEIGHT: 585.56408
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@H]([C@@H]([C@H]([C@@H]5O)O)O)NC6=NC(=O)C7=C(N6)N(C=N7)[C@H]8[C@@H]([C@@H]([C@H](O8)CO)O)O)C=C2
Structure:

CAS RN: 77340-98-8
CAS Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-[[(7R,8S,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
OPENEYE Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[[(7R,8S,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7R,8S,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
SYSTEMATIC NAME: 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[(7R,8S,9S,10R)-7,8,9-tris(oxidanyl)-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
MOLECULAR FORMULA: C30H27N5O8
MOLECULAR WEIGHT: 585.56408
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@H]([C@@H]([C@H]([C@@H]5O)O)O)NC6=NC(=O)C7=C(N6)N(C=N7)[C@H]8[C@@H]([C@@H]([C@H](O8)CO)O)O)C=C2
Structure:

CAS RN: 77340-96-6
CAS Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-[[(7R,8S,9R,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
OPENEYE Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[[(7R,8S,9R,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7R,8S,9R,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
SYSTEMATIC NAME: 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[(7R,8S,9R,10R)-7,8,9-tris(oxidanyl)-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
MOLECULAR FORMULA: C30H27N5O8
MOLECULAR WEIGHT: 585.56408
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@H]([C@H]([C@H]([C@@H]5O)O)O)NC6=NC(=O)C7=C(N6)N(C=N7)[C@H]8[C@@H]([C@@H]([C@H](O8)CO)O)O)C=C2
Structure:

CAS RN: 77228-64-9
CAS Name: disodium [7-[[2,2-dimethyl-4-(sulfonatomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonate
OPENEYE Name: disodium [7-[[2,2-dimethyl-4-(sulfonatomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonate
IUPAC Name: disodium [7-[[2,2-dimethyl-4-(sulfonatomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonate
SYSTEMATIC NAME: disodium [7-[[2,2-dimethyl-4-(sulfonatomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonate
MOLECULAR FORMULA: C25H28N2Na2O6S2
MOLECULAR WEIGHT: 562.60916
SMILES: CC1(C=C(C2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)C(=CC(N4)(C)C)CS(=O)(=O)[O-])CS(=O)(=O)[O-])C.[Na+].[Na+]
Structure:

CAS RN: 76423-69-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H44O7
MOLECULAR WEIGHT: 504.65546
SMILES: CCCCCCCCCC(=O)O[C@@]12[C@@H](C[C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)O
Structure:

CAS RN: 74223-63-5
CAS Name: 2-[[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
IUPAC Name: methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
SYSTEMATIC NAME: methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
MOLECULAR FORMULA: C14H15N5O7S
MOLECULAR WEIGHT: 397.3632
SMILES: COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC
Structure:

CAS RN: 120223-04-3
CAS Name: 5-[1-[(3,4-dimethoxyphenyl)-oxomethyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
OPENEYE Name: 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
IUPAC Name: 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
SYSTEMATIC NAME: 5-[1-(3,4-dimethoxyphenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
MOLECULAR FORMULA: C22H23N3O4S
MOLECULAR WEIGHT: 425.50072
SMILES: CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)OC)OC
Structure:

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