8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-heptylsulfanyl-7-hexadecyl-3-methylpurine-2,6-dione
Also Known As: BAS 00512121|UPCMLD0ENAT5834941:001|8-heptylsulfanyl-7-hexadecyl-3-methylpurine-2,6-dione|8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione|AB00988457-01|AG-690/11241411|8-Heptylsulfanyl-7-hexadecyl-3-methyl-3,7-dihydro-purine-2,6-dione|8-(heptylsulfanyl)-7-hexadecyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-(heptylthio)-7-hexadecyl-3-methyl-1H-purine-2,6(3H,7H)-dione|8-heptylthio-7-hexadecyl-3-methyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C29H52N4O2S |
|---|---|
| Molecular Weight | 520.3811 g/mol |
| LogP | 7.9671 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 520.3811 |
| Monoisotopic Mass | 520.3811 |
| Heavy Atoms | 36 |
| Complexity | 962.5605 |
Chemical Identifiers
| CAS Number | 369608-65-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCCC)N(C(=O)NC2=O)C |
Product Overview
8-(heptylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 369608-65-1), with molecular formula C29H52N4O2S and molecular weight 520.3811 g/mol. IUPAC: 8-heptylsulfanyl-7-hexadecyl-3-methylpurine-2,6-dione.