6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine hydrate tetrahydrochloride

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine hydrate tetrahydrochloride Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine hydrate tetrahydrochloride CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7H-purine hydrate tetrahydrochloride IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine hydrate tetrahydrochloride Traditional Name: 6-(4-piperonylpiperazino)-7H-purine hydrate tetrahydrochloride Formula: C34H42Cl4N12O5 MolecularWeight: 840.58668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC=N5.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC=N5.O.Cl.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC=N5.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC=N5.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C17H18N6O2.4ClH.H2O/c2*1-2-13-14(25-11-24-13)7-12(1)8-22-3-5-23(6-4-22)17-15-16(19-9-18-15)20-10-21-17;;;;;/h2*1-2,7,9-10H,3-6,8,11H2,(H,18,19,20,21);4*1H;1H2