Friday, December 30, 2011

http://ChemLookup.com Compounds




CAS RN: 89477-60-1
CAS Name: N-[(4-chloroanilino)-sulfanylidenemethyl]-N'-ethylcarbamimidothioic acid ethyl ester
OPENEYE Name: 1-(4-chlorophenyl)-3-(N-ethyl-C-ethylsulfanyl-carbonimidoyl)thiourea
IUPAC Name: ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethylcarbamimidothioate
SYSTEMATIC NAME: ethyl N-[(4-chlorophenyl)carbamothioyl]-N'-ethyl-carbamimidothioate
MOLECULAR FORMULA: C12H16ClN3S2
MOLECULAR WEIGHT: 301.85854
SMILES: CCN=C(NC(=S)NC1=CC=C(C=C1)Cl)SCC
Structure:

CAS RN: 55950-68-0
CAS Name: (2-chloro-4-nitrophenyl)hydrazine
OPENEYE Name: (2-chloro-4-nitro-phenyl)hydrazine
IUPAC Name: (2-chloro-4-nitrophenyl)hydrazine
SYSTEMATIC NAME: (2-chloranyl-4-nitro-phenyl)diazane
MOLECULAR FORMULA: C6H6ClN3O2
MOLECULAR WEIGHT: 187.58374
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NN
Structure:

CAS RN: 58554-18-0
CAS Name: N-[[[(4-methylphenyl)-sulfanylidenemethyl]amino]-oxomethyl]-2-phenylacetamide
OPENEYE Name: N-[(4-methylbenzenecarbothioyl)carbamoyl]-2-phenyl-acetamide
IUPAC Name: N-[(4-methylbenzenecarbothioyl)carbamoyl]-2-phenylacetamide
SYSTEMATIC NAME: N-[(4-methylphenyl)carbothioylcarbamoyl]-2-phenyl-ethanamide
MOLECULAR FORMULA: C17H16N2O2S
MOLECULAR WEIGHT: 312.38614
SMILES: CC1=CC=C(C=C1)C(=S)NC(=O)NC(=O)CC2=CC=CC=C2
Structure:

CAS RN: 1780-77-4
CAS Name: 6-(trifluoromethyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4-thione
OPENEYE Name: 6-(trifluoromethyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4-thione
IUPAC Name: 6-(trifluoromethyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4-thione
SYSTEMATIC NAME: 6-(trifluoromethyl)-1,2-dihydropyrazolo[3,4-d]pyrimidine-4-thione
MOLECULAR FORMULA: C6H3F3N4S
MOLECULAR WEIGHT: 220.17503
SMILES: C1=C2C(=NC(=NC2=S)C(F)(F)F)NN1
Structure:

CAS RN: 6492-94-0
CAS Name: 8-(hexan-3-ylthio)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 8-(1-ethylbutylsulfanyl)-1,3-dimethyl-6-thioxo-7H-purin-2-one
IUPAC Name: 8-hexan-3-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 8-hexan-3-ylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C13H20N4OS2
MOLECULAR WEIGHT: 312.4541
SMILES: CCCC(CC)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C
Structure:

CAS RN: 33585-16-9
CAS Name: 2-(azidomethyl)-6-[[5-(azidomethyl)-3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanyl]oxy]oxane-3,4,5-triol
OPENEYE Name: 2-(azidomethyl)-6-[5-(azidomethyl)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(azidomethyl)-6-[5-(azidomethyl)-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: 2-(azidomethyl)-6-[5-(azidomethyl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H20N6O9
MOLECULAR WEIGHT: 392.322
SMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CN=[N+]=[N-])O)O)CO)O)O)O)N=[N+]=[N-]
Structure:

CAS RN: 361-09-1
CAS Name: sodium 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
OPENEYE Name: sodium 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
IUPAC Name: sodium 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
SYSTEMATIC NAME: sodium 4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
MOLECULAR FORMULA: C24H39NaO5
MOLECULAR WEIGHT: 430.55323
SMILES: CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
Structure:

CAS RN: 32500-01-9
CAS Name: sodium 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
OPENEYE Name: sodium 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
IUPAC Name: sodium 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
SYSTEMATIC NAME: sodium 4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
MOLECULAR FORMULA: C24H39NaO5
MOLECULAR WEIGHT: 430.55323
SMILES: CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
Structure:

CAS RN: 17768-16-0
CAS Name: 5-(2-phenylethyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
OPENEYE Name: 5-(2-phenylethyl)-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-4-one
IUPAC Name: 5-(2-phenylethyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-(2-phenylethyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
MOLECULAR FORMULA: C13H11F3N2OS
MOLECULAR WEIGHT: 300.29945
SMILES: C1=CC=C(C=C1)CCC2=C(NC(=S)NC2=O)C(F)(F)F
Structure:

CAS RN: 59886-03-2
CAS Name: 5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2H-triazolo[4,5-d]pyrimidine-7-thione
OPENEYE Name: 5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2H-triazolo[4,5-d]pyrimidine-7-thione
IUPAC Name: 5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-triazolo[4,5-d]pyrimidine-7-thione
SYSTEMATIC NAME: 5-azanyl-3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thione
MOLECULAR FORMULA: C9H12N6O4S
MOLECULAR WEIGHT: 300.29438
SMILES: C(C1C(C(C(O1)N2C3=NC(=NC(=S)C3=NN2)N)O)O)O
Structure:

CAS RN: 71454-43-8
CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(carbamothioylamino)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-dibenzoyloxy-5-(carbamothioylamino)tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [3,4-dibenzoyloxy-5-(carbamothioylamino)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-(carbamothioylamino)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C27H24N2O7S
MOLECULAR WEIGHT: 520.55366
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)NC(=S)N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:

CAS RN: 3391-66-0
CAS Name: 9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-[1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H14N4O5S
MOLECULAR WEIGHT: 314.31766
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)C(CO)O)O)O
Structure:

CAS RN: 3495-99-6
CAS Name: 9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-[1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H14N4O5S
MOLECULAR WEIGHT: 314.31766
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)C(CO)O)O)O
Structure:

CAS RN: 18530-32-0
CAS Name: acetic acid [4,5-diacetyloxy-6-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-6-(2-amino-6-thioxo-3H-purin-9-yl)tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-diacetyloxy-6-(2-amino-6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-6-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] ethanoate
MOLECULAR FORMULA: C16H19N5O7S
MOLECULAR WEIGHT: 425.41636
SMILES: CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2NC(=NC3=S)N
Structure:

CAS RN: 1035-84-3
CAS Name: 5-hydroxy-3-methyl-2-oxo-3-pyrrolo[3,2-c]quinolinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-hydroxy-3-methyl-2-oxo-pyrrolo[3,2-c]quinoline-3-carboxylate
IUPAC Name: ethyl 5-hydroxy-3-methyl-2-oxopyrrolo[3,2-c]quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-5-oxidanyl-2-oxidanylidene-pyrrolo[3,2-c]quinoline-3-carboxylate
MOLECULAR FORMULA: C15H14N2O4
MOLECULAR WEIGHT: 286.28266
SMILES: CCOC(=O)C1(C2=CN(C3=CC=CC=C3C2=NC1=O)O)C
Structure:

CAS RN: 2260-33-5
CAS Name: (6-amino-7H-purin-8-yl)-phenylmethanol
OPENEYE Name: (6-amino-7H-purin-8-yl)-phenyl-methanol
IUPAC Name: (6-amino-7H-purin-8-yl)-phenylmethanol
SYSTEMATIC NAME: (6-azanyl-7H-purin-8-yl)-phenyl-methanol
MOLECULAR FORMULA: C12H11N5O
MOLECULAR WEIGHT: 241.24864
SMILES: C1=CC=C(C=C1)C(C2=NC3=C(N2)C(=NC=N3)N)O
Structure:

CAS RN: 4116-38-5
CAS Name: 1,3-dimethyl-2,6-dioxo-4-pyrimidinecarboxylic acid
OPENEYE Name: 1,3-dimethyl-2,6-dioxo-pyrimidine-4-carboxylic acid
IUPAC Name: 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C7H8N2O4
MOLECULAR WEIGHT: 184.14942
SMILES: CN1C(=CC(=O)N(C1=O)C)C(=O)O
Structure:

CAS RN: 42558-86-1
CAS Name: 4-chlorobenzoic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-chlorophenyl)-oxomethoxy]-2-oxolanyl]methyl ester
OPENEYE Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-bis[(4-chlorobenzoyl)oxy]tetrahydrofuran-2-yl]methyl 4-chlorobenzoate
IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-chlorobenzoyl)oxy]oxolan-2-yl]methyl 4-chlorobenzoate
SYSTEMATIC NAME: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-bis[(4-chlorophenyl)carbonyloxy]oxolan-2-yl]methyl 4-chloranylbenzoate
MOLECULAR FORMULA: C31H22Cl3N5O7S
MOLECULAR WEIGHT: 714.95968
SMILES: C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=S)N)OC(=O)C5=CC=C(C=C5)Cl)OC(=O)C6=CC=C(C=C6)Cl)Cl
Structure:

CAS RN: 28-99-9
CAS Name: 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
OPENEYE Name: 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethyl-propyl)phenol
IUPAC Name: 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-(2,2-dimethyl-3-oxidanyl-propyl)phenol
MOLECULAR FORMULA: C19H32O2
MOLECULAR WEIGHT: 292.45618
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)CO
Structure:

CAS RN: 4815-19-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21N3O3S
MOLECULAR WEIGHT: 359.44264
SMILES: CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC)OC
Structure:

CAS RN: 6097-26-3
CAS Name: thiocyanic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester
OPENEYE Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] thiocyanate
IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] thiocyanate
SYSTEMATIC NAME: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] thiocyanate
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: COC1=CC=C(C=C1)C(=O)CSC#N
Structure:

CAS RN: 6492-91-7
CAS Name: 1,3-dimethyl-8-(pentan-2-ylthio)-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 1,3-dimethyl-8-(1-methylbutylsulfanyl)-6-thioxo-7H-purin-2-one
IUPAC Name: 1,3-dimethyl-8-pentan-2-ylsulfanyl-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 1,3-dimethyl-8-pentan-2-ylsulfanyl-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C12H18N4OS2
MOLECULAR WEIGHT: 298.42752
SMILES: CCCC(C)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C
Structure:

CAS RN: 23818-42-0
CAS Name: N-(4-nitro-6-oxo-5H-phenanthridin-2-yl)acetamide
OPENEYE Name: N-(4-nitro-6-oxo-5H-phenanthridin-2-yl)acetamide
IUPAC Name: N-(4-nitro-6-oxo-5H-phenanthridin-2-yl)acetamide
SYSTEMATIC NAME: N-(4-nitro-6-oxidanylidene-5H-phenanthridin-2-yl)ethanamide
MOLECULAR FORMULA: C15H11N3O4
MOLECULAR WEIGHT: 297.26554
SMILES: CC(=O)NC1=CC(=C2C(=C1)C3=CC=CC=C3C(=O)N2)[N+](=O)[O-]
Structure:

CAS RN: 6964-38-1
CAS Name: N-[(4-fluorophenyl)-oxomethyl]carbamothioic acid O-methyl ester
OPENEYE Name: O-methyl N-(4-fluorobenzoyl)carbamothioate
IUPAC Name: O-methyl N-(4-fluorobenzoyl)carbamothioate
SYSTEMATIC NAME: O-methyl N-(4-fluorophenyl)carbonylcarbamothioate
MOLECULAR FORMULA: C9H8FNO2S
MOLECULAR WEIGHT: 213.228723
SMILES: COC(=S)NC(=O)C1=CC=C(C=C1)F
Structure:

CAS RN: 92036-89-0
CAS Name: N-(2-methoxyethyl)carbamodithioic acid 2-[di(propan-2-yl)amino]ethyl ester
OPENEYE Name: 2-(diisopropylamino)ethyl N-(2-methoxyethyl)carbamodithioate
IUPAC Name: 2-[di(propan-2-yl)amino]ethyl N-(2-methoxyethyl)carbamodithioate
SYSTEMATIC NAME: 2-[di(propan-2-yl)amino]ethyl N-(2-methoxyethyl)carbamodithioate
MOLECULAR FORMULA: C12H26N2OS2
MOLECULAR WEIGHT: 278.47764
SMILES: CC(C)N(CCSC(=S)NCCOC)C(C)C
Structure:

CAS RN: 63547-68-2
CAS Name: 1-tert-butyl-4-methoxy-5,5-dimethyl-2-imidazolidinethione
OPENEYE Name: 1-tert-butyl-4-methoxy-5,5-dimethyl-imidazolidine-2-thione
IUPAC Name: 1-tert-butyl-4-methoxy-5,5-dimethylimidazolidine-2-thione
SYSTEMATIC NAME: 1-tert-butyl-4-methoxy-5,5-dimethyl-imidazolidine-2-thione
MOLECULAR FORMULA: C10H20N2OS
MOLECULAR WEIGHT: 216.3436
SMILES: CC1(C(NC(=S)N1C(C)(C)C)OC)C
Structure:

CAS RN: 58554-20-4
CAS Name: 4-methyl-N-[oxo-(1-sulfanylideneethylamino)methyl]benzamide
OPENEYE Name: N-(ethanethioylcarbamoyl)-4-methyl-benzamide
IUPAC Name: N-(ethanethioylcarbamoyl)-4-methylbenzamide
SYSTEMATIC NAME: N-(ethanethioylcarbamoyl)-4-methyl-benzamide
MOLECULAR FORMULA: C11H12N2O2S
MOLECULAR WEIGHT: 236.29018
SMILES: CC1=CC=C(C=C1)C(=O)NC(=O)NC(=S)C
Structure:

CAS RN: 21585-19-3
CAS Name: 5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C13H14N2O3S
MOLECULAR WEIGHT: 278.32686
SMILES: COC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CCO
Structure:

CAS RN: 59921-61-8
CAS Name: 3,5-dinitro-2-(7H-purin-6-ylthio)benzoic acid propan-2-yl ester
OPENEYE Name: isopropyl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate
IUPAC Name: propan-2-yl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate
SYSTEMATIC NAME: propan-2-yl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate
MOLECULAR FORMULA: C15H12N6O6S
MOLECULAR WEIGHT: 404.35738
SMILES: CC(C)OC(=O)C1=CC(=CC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 4992-04-5
CAS Name: 2-(1-azepanylmethyl)phenol
OPENEYE Name: 2-(azepan-1-ylmethyl)phenol
IUPAC Name: 2-(azepan-1-ylmethyl)phenol
SYSTEMATIC NAME: 2-(azepan-1-ylmethyl)phenol
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: C1CCCN(CC1)CC2=CC=CC=C2O
Structure:

CAS RN: 4460-10-0
CAS Name: [2-amino-6-(methylthio)-7H-purin-8-yl]-phenylmethanol
OPENEYE Name: (2-amino-6-methylsulfanyl-7H-purin-8-yl)-phenyl-methanol
IUPAC Name: (2-amino-6-methylsulfanyl-7H-purin-8-yl)-phenylmethanol
SYSTEMATIC NAME: (2-azanyl-6-methylsulfanyl-7H-purin-8-yl)-phenyl-methanol
MOLECULAR FORMULA: C13H13N5OS
MOLECULAR WEIGHT: 287.34022
SMILES: CSC1=NC(=NC2=C1NC(=N2)C(C3=CC=CC=C3)O)N
Structure:

CAS RN: 18542-55-7
CAS Name: 1-diethoxyphosphoryl-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea
OPENEYE Name: 1-diethoxyphosphoryl-3-(pyridine-4-carbonylamino)thiourea
IUPAC Name: 1-diethoxyphosphoryl-3-(pyridine-4-carbonylamino)thiourea
SYSTEMATIC NAME: 1-diethoxyphosphoryl-3-(pyridin-4-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C11H17N4O4PS
MOLECULAR WEIGHT: 332.315841
SMILES: CCOP(=O)(NC(=S)NNC(=O)C1=CC=NC=C1)OCC
Structure:

CAS RN: 51022-00-5
CAS Name: acetic acid (4-acetyloxy-2,3-diazido-5,6,7,8-tetrahydronaphthalen-1-yl) ester
OPENEYE Name: (8-acetoxy-6,7-diazido-tetralin-5-yl) acetate
IUPAC Name: (4-acetyloxy-2,3-diazido-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
SYSTEMATIC NAME: (4-acetyloxy-2,3-diazido-5,6,7,8-tetrahydronaphthalen-1-yl) ethanoate
MOLECULAR FORMULA: C14H14N6O4
MOLECULAR WEIGHT: 330.29876
SMILES: CC(=O)OC1=C(C(=C(C2=C1CCCC2)OC(=O)C)N=[N+]=[N-])N=[N+]=[N-]
Structure:

CAS RN: 186320-18-3
CAS Name: 3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid
OPENEYE Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
IUPAC Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
SYSTEMATIC NAME: 3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: CC(CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Structure:

CAS RN: 1464-98-8
CAS Name: N-prop-2-ynylbenzamide
OPENEYE Name: N-prop-2-ynylbenzamide
IUPAC Name: N-prop-2-ynylbenzamide
SYSTEMATIC NAME: N-prop-2-ynylbenzamide
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: C#CCNC(=O)C1=CC=CC=C1
Structure:

CAS RN: 5112-44-7
CAS Name: 2-benzoyl-N-(3-hydroxypropyl)benzamide
OPENEYE Name: 2-benzoyl-N-(3-hydroxypropyl)benzamide
IUPAC Name: 2-benzoyl-N-(3-hydroxypropyl)benzamide
SYSTEMATIC NAME: N-(3-oxidanylpropyl)-2-(phenylcarbonyl)benzamide
MOLECULAR FORMULA: C17H17NO3
MOLECULAR WEIGHT: 283.32178
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCCCO
Structure:

CAS RN: 4750-91-8
CAS Name: 2-chloro-N,N-diethyl-5-nitrobenzenesulfonamide
OPENEYE Name: 2-chloro-N,N-diethyl-5-nitro-benzenesulfonamide
IUPAC Name: 2-chloro-N,N-diethyl-5-nitrobenzenesulfonamide
SYSTEMATIC NAME: 2-chloranyl-N,N-diethyl-5-nitro-benzenesulfonamide
MOLECULAR FORMULA: C10H13ClN2O4S
MOLECULAR WEIGHT: 292.73922
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl
Structure:

CAS RN: 30751-26-9
CAS Name: 4-chloro-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
OPENEYE Name: 4-chloro-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide
IUPAC Name: 4-chloro-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide
MOLECULAR FORMULA: C13H11ClN2O5S
MOLECULAR WEIGHT: 342.75484
SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
Structure:

CAS RN: 81012-89-7
CAS Name: 1-naphthalenyl phosphate
OPENEYE Name: 1-naphthyl phosphate
IUPAC Name: naphthalen-1-yl phosphate
SYSTEMATIC NAME: naphthalen-1-yl phosphate
MOLECULAR FORMULA: C10H7O4P-2
MOLECULAR WEIGHT: 222.133941
SMILES: C1=CC=C2C(=C1)C=CC=C2OP(=O)([O-])[O-]
Structure:

CAS RN: 667412-84-2
CAS Name: 2-(4-propan-2-ylphenoxy)propanehydrazide
OPENEYE Name: 2-(4-isopropylphenoxy)propanehydrazide
IUPAC Name: 2-(4-propan-2-ylphenoxy)propanehydrazide
SYSTEMATIC NAME: 2-(4-propan-2-ylphenoxy)propanehydrazide
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC(C)C1=CC=C(C=C1)OC(C)C(=O)NN
Structure:

CAS RN: 824390-04-7
CAS Name: 4-[2-(trifluoromethyl)phenoxy]piperidine
OPENEYE Name: 4-[2-(trifluoromethyl)phenoxy]piperidine
IUPAC Name: 4-[2-(trifluoromethyl)phenoxy]piperidine
SYSTEMATIC NAME: 4-[2-(trifluoromethyl)phenoxy]piperidine
MOLECULAR FORMULA: C12H14F3NO
MOLECULAR WEIGHT: 245.24087
SMILES: C1CNCCC1OC2=CC=CC=C2C(F)(F)F
Structure:

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