RefChem:239555
1,3-dimethyl-7-[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione;dihydrochloride
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)-, dihydrochloride|1,3-Dimethyl-7-(3-{4-[3-(phenylsulfanyl)propyl]piperazin-1-yl}propyl)-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/2)|1,3-dimethyl-7-[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione dihydrochloride
| Molecular Formula | C23H34Cl2N6O2S |
|---|---|
| Molecular Weight | 528.1841 g/mol |
| LogP | 2.4674 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.1841 |
| Monoisotopic Mass | 528.1841 |
| Heavy Atoms | 34 |
| Complexity | 1155.9622 |
Chemical Identifiers
| CAS Number | 79712-52-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCN(CC3)CCCSC4=CC=CC=C4.Cl.Cl |
Product Overview
RefChem:239555 (CAS 79712-52-0), with molecular formula C23H34Cl2N6O2S and molecular weight 528.1841 g/mol. IUPAC: 1,3-dimethyl-7-[3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]propyl]purine-2,6-dione;dihydrochloride.
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