CAS RN: 89793-40-8
CAS Name: 2-(2-chloroethylthio)-7H-purine
OPENEYE Name: 2-(2-chloroethylsulfanyl)-7H-purine
IUPAC Name: 2-(2-chloroethylsulfanyl)-7H-purine
SYSTEMATIC NAME: 2-(2-chloroethylsulfanyl)-7H-purine
MOLECULAR FORMULA: C7H7ClN4S
MOLECULAR WEIGHT: 214.67528
SMILES: C1=C2C(=NC(=N1)SCCCl)N=CN2
Structure:
CAS RN: 15830-54-3
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-amino-8-sulfanylidene-7H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-amino-8-thioxo-7H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-amino-8-sulfanylidene-7H-purin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-azanyl-8-sulfanylidene-7H-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H19N5O7S
MOLECULAR WEIGHT: 425.41636
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC=N3)N)NC2=S)OC(=O)C)OC(=O)C
Structure:
CAS RN: 15830-60-1
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-amino-8-sulfanylidene-7H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-amino-8-thioxo-7H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-amino-8-sulfanylidene-7H-purin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-azanyl-8-sulfanylidene-7H-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H19N5O7S
MOLECULAR WEIGHT: 425.41636
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC=N3)N)NC2=S)OC(=O)C)OC(=O)C
Structure:
CAS RN: 13190-62-0
CAS Name: acetic acid [2-acetyloxy-2-[3-acetyloxy-5-(ethylthio)-4-(1-sulfanylideneethylamino)-2-oxolanyl]ethyl] ester
OPENEYE Name: [2-acetoxy-2-[3-acetoxy-4-(ethanethioylamino)-5-ethylsulfanyl-tetrahydrofuran-2-yl]ethyl] acetate
IUPAC Name: [2-acetyloxy-2-[3-acetyloxy-4-(ethanethioylamino)-5-ethylsulfanyloxolan-2-yl]ethyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-2-[3-acetyloxy-4-(ethanethioylamino)-5-ethylsulfanyl-oxolan-2-yl]ethyl] ethanoate
MOLECULAR FORMULA: C16H25NO7S2
MOLECULAR WEIGHT: 407.5022
SMILES: CCSC1C(C(C(O1)C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=S)C
Structure:
CAS RN: 89791-96-8
CAS Name: 5-methyl-3-nitrobenzene-1,2-diol
OPENEYE Name: 5-methyl-3-nitro-benzene-1,2-diol
IUPAC Name: 5-methyl-3-nitrobenzene-1,2-diol
SYSTEMATIC NAME: 5-methyl-3-nitro-benzene-1,2-diol
MOLECULAR FORMULA: C7H7NO4
MOLECULAR WEIGHT: 169.13478
SMILES: CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-]
Structure:
CAS RN: 13057-37-9
CAS Name: 1-tert-butyl-3-[2-[[(tert-butylamino)-sulfanylidenemethyl]amino]ethyl]thiourea
OPENEYE Name: 1-tert-butyl-3-[2-(tert-butylcarbamothioylamino)ethyl]thiourea
IUPAC Name: 1-tert-butyl-3-[2-(tert-butylcarbamothioylamino)ethyl]thiourea
SYSTEMATIC NAME: 1-tert-butyl-3-[2-(tert-butylcarbamothioylamino)ethyl]thiourea
MOLECULAR FORMULA: C12H26N4S2
MOLECULAR WEIGHT: 290.49164
SMILES: CC(C)(C)NC(=S)NCCNC(=S)NC(C)(C)C
Structure:
CAS RN: 6299-75-8
CAS Name: 2-amino-4-mercapto-5-phenyl-1H-pyrimidine-6-thione
OPENEYE Name: 2-amino-5-phenyl-4-sulfanyl-1H-pyrimidine-6-thione
IUPAC Name: 2-amino-5-phenyl-4-sulfanyl-1H-pyrimidine-6-thione
SYSTEMATIC NAME: 2-azanyl-5-phenyl-4-sulfanyl-1H-pyrimidine-6-thione
MOLECULAR FORMULA: C10H9N3S2
MOLECULAR WEIGHT: 235.32856
SMILES: C1=CC=C(C=C1)C2=C(N=C(NC2=S)N)S
Structure:
CAS RN: 32654-60-7
CAS Name: 4-amino-3,5-dinitrophenol
OPENEYE Name: 4-amino-3,5-dinitro-phenol
IUPAC Name: 4-amino-3,5-dinitrophenol
SYSTEMATIC NAME: 4-azanyl-3,5-dinitro-phenol
MOLECULAR FORMULA: C6H5N3O5
MOLECULAR WEIGHT: 199.121
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])O
Structure:
CAS RN: 21994-40-1
CAS Name: 4-azidobutanenitrile
OPENEYE Name: 4-azidobutanenitrile
IUPAC Name: 4-azidobutanenitrile
SYSTEMATIC NAME: 4-azidobutanenitrile
MOLECULAR FORMULA: C4H6N4
MOLECULAR WEIGHT: 110.11724
SMILES: C(CC#N)CN=[N+]=[N-]
Structure:
CAS RN: 55094-94-5
CAS Name: acetic acid [2,3,4-triacetyloxy-5-(ethylthio)-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] ester
OPENEYE Name: [2,3,4-triacetoxy-5-ethylsulfanyl-5-(6-thioxo-3H-purin-9-yl)pentyl] acetate
IUPAC Name: [2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] acetate
SYSTEMATIC NAME: [2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] ethanoate
MOLECULAR FORMULA: C20H26N4O8S2
MOLECULAR WEIGHT: 514.57244
SMILES: CCSC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N1C=NC2=C1NC=NC2=S
Structure:
CAS RN: 7230-42-4
CAS Name: acetic acid [2,3,4-triacetyloxy-5-(ethylthio)-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] ester
OPENEYE Name: [2,3,4-triacetoxy-5-ethylsulfanyl-5-(6-thioxo-3H-purin-9-yl)pentyl] acetate
IUPAC Name: [2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] acetate
SYSTEMATIC NAME: [2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] ethanoate
MOLECULAR FORMULA: C20H26N4O8S2
MOLECULAR WEIGHT: 514.57244
SMILES: CCSC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N1C=NC2=C1NC=NC2=S
Structure:
CAS RN: 66646-14-8
CAS Name: N-[sulfanylidene-(thiophen-2-ylamino)methyl]acetamide
OPENEYE Name: N-(2-thienylcarbamothioyl)acetamide
IUPAC Name: N-(thiophen-2-ylcarbamothioyl)acetamide
SYSTEMATIC NAME: N-(thiophen-2-ylcarbamothioyl)ethanamide
MOLECULAR FORMULA: C7H8N2OS2
MOLECULAR WEIGHT: 200.28122
SMILES: CC(=O)NC(=S)NC1=CC=CS1
Structure:
CAS RN: 31349-12-9
CAS Name: 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminomethyl]-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C17H21ClN4OS
MOLECULAR WEIGHT: 364.89284
SMILES: CN(C)CCCN=CC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 88511-80-2
CAS Name: 6-sulfanylidene-3,7-dihydropurine-2-sulfonamide
OPENEYE Name: 6-thioxo-3,7-dihydropurine-2-sulfonamide
IUPAC Name: 6-sulfanylidene-3,7-dihydropurine-2-sulfonamide
SYSTEMATIC NAME: 6-sulfanylidene-3,7-dihydropurine-2-sulfonamide
MOLECULAR FORMULA: C5H5N5O2S2
MOLECULAR WEIGHT: 231.2555
SMILES: C1=NC2=C(N1)C(=S)N=C(N2)S(=O)(=O)N
Structure:
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