Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate
pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate
Also Known As: BAS 00552982|AB00667667-01|AG-690/11451102|pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate|F0373-0834|pentyl [(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio]acetate|pentyl 2-((7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate|pentyl 2-{[3-methyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate|pentyl [(7-isopropyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate|PENTYL 2-[(7-ISOPROPYL-3-METHYL-2,6-DIOXO-1H-PURIN-8-YL)SULFANYL]ACETATE|pentyl 2-[3-methyl-7-(methylethyl)-2,6-dioxo-1,3,7-trihydropurin-8-ylthio]acet ate|pentyl {[3-methyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate|pentyl {[6-hydroxy-3-methyl-2-oxo-7-(propan-2-yl)-3,7-dihydro-2H-purin-8-yl]sulfanyl}acetate
| Molecular Formula | C16H24N4O4S |
|---|---|
| Molecular Weight | 368.15182 g/mol |
| LogP | 1.8297 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.15182 |
| Monoisotopic Mass | 368.15182 |
| Heavy Atoms | 25 |
| Complexity | 865.3675 |
Chemical Identifiers
| CAS Number | 369608-67-3 |
|---|---|
| SMILES | CCCCCOC(=O)CSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C |
Product Overview
Pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate (CAS 369608-67-3), with molecular formula C16H24N4O4S and molecular weight 368.15182 g/mol. IUPAC: pentyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate.