3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol dihydrochloride

Systemtic Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol dihydrochloride Openeye Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol dihydrochloride CAS Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-purinyl]propane-1,2-diol dihydrochloride IUPAC Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol dihydrochloride Traditional Name: 3-[6-(4-piperonylpiperazino)purin-9-yl]propane-1,2-diol dihydrochloride Formula: C20H26Cl2N6O4 MolecularWeight: 485.36424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4N=CN5CC(CO)O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4N=CN5CC(CO)O.Cl.Cl

InChI

InChI=1S/C20H24N6O4.2ClH/c27-10-15(28)9-26-12-23-18-19(21-11-22-20(18)26)25-5-3-24(4-6-25)8-14-1-2-16-17(7-14)30-13-29-16;;/h1-2,7,11-12,15,27-28H,3-6,8-10,13H2;2*1H