AC1Q2WIS
2-(8-bromo-3-methyl-2,6-dioxo-7-pentylpurin-1-yl)acetamide
Also Known As: BAS 00288311|2-(8-bromo-3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide|AG-690/08640048|2-(8-bromo-3-methyl-2,6-dioxo-7-pentylpurin-1-yl)acetamide|2-(8-Bromo-3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-purin-1-yl)-acetamide|2-(8-bromo-3-methyl-2,6-dioxo-7-pentyl-1,3,7-trihydropurinyl)acetamide
CAS: 313530-93-7
| Molecular Formula | C13H18BrN5O3 |
|---|---|
| Molecular Weight | 371.0593 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.0593 |
| Monoisotopic Mass | 371.0593 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 313530-93-7 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)N)C |
| InChIKey | DFJIMWWUAWYPMP-UHFFFAOYSA-N |
Product Overview
AC1Q2WIS (CAS 313530-93-7), with molecular formula C13H18BrN5O3 and molecular weight 371.0593 g/mol. IUPAC: 2-(8-bromo-3-methyl-2,6-dioxo-7-pentylpurin-1-yl)acetamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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