8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione
8-bromo-3-methyl-7-phenacylpurine-2,6-dione
Also Known As: Oprea1_263478|Oprea1_633647|8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione|7-phenacyl-8-bromo-3-methylxanthine|8-bromo-3-methyl-7-phenacylpurine-2,6-dione|BAS 00162592|8-bromo-3-methyl-7-phenacylmethylxanthine|8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|8-bromo-3-methyl-7-phenacyl-purine-2,6-dione|8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione|F0373-0026|8-Bromo-3-methyl-7-(2-oxo-2-phenyl-ethyl)-3,7-dihydro-purine-2,6-dione|8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-1,3,7-trihydropurine-2,6-dione|1H-Purine-2,6-dione,8-bromo-3,7-dihydro-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-|7-(2-Biphenyl-4-yl-2-oxo-ethyl)-8-bromo-3-methyl-3,7-dihydro-purine-2,6-dione|8-bromo-3,7-dihydro-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6-dione|8-bromo-3-methyl-7-(3-oxo-3-(p-tolyl)propyl)-3,7-dihydro-1H-purine-2,6-dione|8-bromo-7-(2-hydroxy-2-(4-nitrophenyl)ethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione|8-bromo-7-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H11BrN4O3 |
|---|---|
| Molecular Weight | 362.00146 g/mol |
| LogP | 1.0687 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.00146 |
| Monoisotopic Mass | 362.00146 |
| Heavy Atoms | 22 |
| Complexity | 984.97595 |
Chemical Identifiers
| CAS Number | 101072-20-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC=CC=C3 |
Product Overview
8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione (CAS 101072-20-2), with molecular formula C14H11BrN4O3 and molecular weight 362.00146 g/mol. IUPAC: 8-bromo-3-methyl-7-phenacylpurine-2,6-dione.