AC1LDZH0
7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione
Also Known As: BAS 00286872|SR-01000360414-1|7-[(2Z)-3-chlorobut-2-en-1-yl]-6-hydroxy-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-2H-purin-2-one|7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione|(Z)-7-(3-chlorobut-2-en-1-yl)-3-methyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione|7-(3-Chloro-but-2-enyl)-3-methyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione|7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H19ClN6O2 |
|---|---|
| Molecular Weight | 338.1258 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1258 |
| Monoisotopic Mass | 338.1258 |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 106939-29-1 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C)/Cl |
| InChIKey | DJABCRUQDNAHBQ-OQFOIZHKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LDZH0 (CAS 106939-29-1), with molecular formula C14H19ClN6O2 and molecular weight 338.1258 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione.