8-Butylsulfanyl-3-methyl-7-pentylpurine-2,6-dione
8-butylsulfanyl-3-methyl-7-pentylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5731396:001|7-amyl-8-(butylthio)-3-methyl-xanthine|BAS 00288301|8-butylsulfanyl-3-methyl-7-pentylpurine-2,6-dione|8-(butylthio)-3-methyl-7-pentylpurine-2,6-dione|8-Butylsulfanyl-3-methyl-7-pentyl-3,7-dihydro-purine-2,6-dione|8-butylsulfanyl-3-methyl-7-pentyl-purine-2,6-dione|8-(butylsulfanyl)-3-methyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-(butylthio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione|8-butylthio-3-methyl-7-pentyl-1,3,7-trihydropurine-2,6-dione|8-(butylthio)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione|8-(butylsulfanyl)-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H24N4O2S |
|---|---|
| Molecular Weight | 324.162 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.162 |
| Monoisotopic Mass | 324.162 |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 316357-88-7 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCCCC)N(C(=O)NC2=O)C |
| InChIKey | OSVYVEWSQLLMKP-UHFFFAOYSA-N |
Product Overview
8-Butylsulfanyl-3-methyl-7-pentylpurine-2,6-dione (CAS 316357-88-7), with molecular formula C15H24N4O2S and molecular weight 324.162 g/mol. IUPAC: 8-butylsulfanyl-3-methyl-7-pentylpurine-2,6-dione.