8-(butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
8-butylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 00553110|8-(butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione|8-butylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione|AG-690/11451142|F0372-0195|8-(butylsulfanyl)-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-(butylsulfanyl)-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione|8-Butylsulfanyl-3-methyl-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione|8-butylthio-3-methyl-7-(3-phenylpropyl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C19H24N4O2S |
|---|---|
| Molecular Weight | 372.162 g/mol |
| LogP | 2.9483 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.162 |
| Monoisotopic Mass | 372.162 |
| Heavy Atoms | 26 |
| Complexity | 988.4271 |
Chemical Identifiers
| CAS Number | 369608-51-5 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C |
Product Overview
8-(butylthio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 369608-51-5), with molecular formula C19H24N4O2S and molecular weight 372.162 g/mol. IUPAC: 8-butylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.