7-(4-chlorobenzyl)-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-8-heptylsulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00553008|7-(4-chlorobenzyl)-8-(heptylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione|7-[(4-chlorophenyl)methyl]-8-heptylsulfanyl-3-methylpurine-2,6-dione|7-(4-Chloro-benzyl)-8-heptylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione|7-(4-chlorobenzyl)-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione|7-(4-chlorobenzyl)-8-(heptylthio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione|7-[(4-chlorophenyl)methyl]-8-heptylthio-3-methyl-1,3,7-trihydropurine-2,6-dion e|7-[(4-chlorophenyl)methyl]-8-(heptylsulfanyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H25ClN4O2S |
|---|---|
| Molecular Weight | 420.13867 g/mol |
| LogP | 4.1875 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.13867 |
| Monoisotopic Mass | 420.13867 |
| Heavy Atoms | 28 |
| Complexity | 1052.9834 |
Chemical Identifiers
| CAS Number | 369605-74-3 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C |
Product Overview
7-(4-chlorobenzyl)-8-(heptylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 369605-74-3), with molecular formula C20H25ClN4O2S and molecular weight 420.13867 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-heptylsulfanyl-3-methylpurine-2,6-dione.