AC1LDE4S
1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 07401434|AB00424195-08|F0634-0731|1,3-Dimethyl-8-(4-methyl-piperazin-1-ylmethyl)-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione|1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione|1,3-dimethyl-8-((4-methylpiperazin-1-yl)methyl)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione|1,3-dimethyl-8-((4-methylpiperazin-1-yl)methyl)-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione|1,3-DIMETHYL-8-[(4-METHYL-1-PIPERAZINYL)METHYL]-7-(3-PHENYLPROPYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE|1,3-DIMETHYL-8-[(4-METHYLPIPERAZIN-1-YL)METHYL]-7-(3-PHENYLPROPYL)-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE|1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione|1,3-dimethyl-8-[(4-methylpiperazinyl)methyl]-7-(3-phenylpropyl)-1,3,7-trihydro purine-2,6-dione
| Molecular Formula | C22H30N6O2 |
|---|---|
| Molecular Weight | 410.243 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.243 |
| Monoisotopic Mass | 410.243 |
| Heavy Atoms | 30 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 577960-29-3 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
| InChIKey | VTKABFDTNQRXDU-UHFFFAOYSA-N |
Product Overview
AC1LDE4S (CAS 577960-29-3), with molecular formula C22H30N6O2 and molecular weight 410.243 g/mol. IUPAC: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione.