AC1NM7XE
8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: 8-(4-(4-chlorobenzyl)piperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione|8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione|F2636-0113|8-[4-(4-chlorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one|8-{4-[(4-chlorophenyl)methyl]piperazinyl}-3-methyl-7-(2-methylpropyl)-1,3,7-tr ihydropurine-2,6-dione
| Molecular Formula | C21H27ClN6O2 |
|---|---|
| Molecular Weight | 430.18842 g/mol |
| LogP | 2.0549 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.18842 |
| Monoisotopic Mass | 430.18842 |
| Heavy Atoms | 30 |
| Complexity | 1153.1838 |
Chemical Identifiers
| CAS Number | 879593-63-2 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N3CCN(CC3)CC4=CC=C(C=C4)Cl)N(C(=O)NC2=O)C |
Product Overview
AC1NM7XE (CAS 879593-63-2), with molecular formula C21H27ClN6O2 and molecular weight 430.18842 g/mol. IUPAC: 8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
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