Theophylline, 7-(2-(4-(p-chlorobenzyl)-1-piperazinyl)ethyl)-
7-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Theophylline, 7-(2-(4-(p-chlorobenzyl)-1-piperazinyl)ethyl)-|5-26-14-00016 (Beilstein Handbook Reference)|7-(2-(4-(p-Chlorobenzyl)-1-piperazinyl)ethyl)theophylline|7-[2-[4-[(4-Chlorophenyl)methyl]-1-piperazinyl]ethyl]theophyline|7-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione|Theophylline, 7-[2-[4-(p-chlorobenzyl)-1-piperazinyl]ethyl]-|7-[2-[4-[(4-Chlorophenyl)methyl]-1-piperazinyl]ethyl]theophylline|7-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-di|7-{2-[4-(4-chlorobenzyl)piperazin-1-yl]ethyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione|1H-Purine-2,6-dione, 7-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]ethyl]-3,7-dihydro-1,3-dimethyl-|7-(2-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}ethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-(2-{4-[(4-Chlorophenyl)methyl]piperazin-1-yl}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|7-[2-[4-[(4-Chlorophenyl)methyl]-1-piperazinyl]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
| Molecular Formula | C20H25ClN6O2 |
|---|---|
| Molecular Weight | 416.17276 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.17276 |
| Heavy Atoms | 29 |
| Complexity | 1122.8 |
Chemical Identifiers
| CAS Number | 19971-80-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)CC4=CC=C(C=C4)Cl |
Product Overview
Theophylline, 7-(2-(4-(p-chlorobenzyl)-1-piperazinyl)ethyl)- (CAS 19971-80-3), with molecular formula C20H25ClN6O2 and molecular weight 416.17276 g/mol. IUPAC: 7-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione.
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