8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-benzylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: Oprea1_183651|Oprea1_357927|BAS 00288327|AG-690/40146973|BRD-K03321610-001-01-2|8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione|8-benzylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione|8-(benzylthio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione|8-Benzylsulfanyl-3-methyl-7-(3-methyl-butyl)-3,7-dihydro-purine-2,6-dione|3-methyl-7-(3-methylbutyl)-8-(phenylmethylthio)-1,3,7-trihydropurine-2,6-dione|3-methyl-7-(3-methylbutyl)-8-[(phenylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione|8-(benzylsulfanyl)-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H22N4O2S |
|---|---|
| Molecular Weight | 358.14636 g/mol |
| LogP | 2.7617 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.14636 |
| Monoisotopic Mass | 358.14636 |
| Heavy Atoms | 25 |
| Complexity | 985.9641 |
Chemical Identifiers
| CAS Number | 313530-83-5 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 313530-83-5), with molecular formula C18H22N4O2S and molecular weight 358.14636 g/mol. IUPAC: 8-benzylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
8-(benzylthio)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »