AC1MY4X5
8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: Oprea1_180668|Oprea1_539186|UPCMLD0ENAT5733437:001|AG-690/08640056|SR-01000313650-1|F0017-1671|8-((1H-benzo[d]imidazol-2-yl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione|8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione|8-(1H-benzimidazol-2-ylsulfanyl)-7-isopentyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione|8-benzimidazol-2-ylthio-3-methyl-7-(3-methylbutyl)-1,3,7-trihydropurine-2,6-di one|8-(1H-1,3-benzodiazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H20N6O2S |
|---|---|
| Molecular Weight | 384.13684 g/mol |
| LogP | 2.4969 |
| Topological Polar Surface Area | 101.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.13684 |
| Monoisotopic Mass | 384.13684 |
| Heavy Atoms | 27 |
| Complexity | 1213.4297 |
Chemical Identifiers
| CAS Number | 313262-61-2 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C |
Product Overview
AC1MY4X5 (CAS 313262-61-2), with molecular formula C18H20N6O2S and molecular weight 384.13684 g/mol. IUPAC: 8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione.