6-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-7H-purine hydrate dihydrochloride

Systemtic Name: 6-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-7H-purine hydrate dihydrochloride Openeye Name: 6-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-7H-purine hydrate dihydrochloride CAS Name: 6-[4-(3H-1,2-benzodioxol-6-ylmethyl)-1-piperazinyl]-7H-purine hydrate dihydrochloride IUPAC Name: 6-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazin-1-yl]-7H-purine hydrate dihydrochloride Traditional Name: 6-[4-(3H-1,2-benzodioxol-6-ylmethyl)piperazino]-7H-purine hydrate dihydrochloride Formula: C17H22Cl2N6O3 MolecularWeight: 429.30098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(COO3)C=C2)C4=NC=NC5=C4NC=N5.O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(COO3)C=C2)C4=NC=NC5=C4NC=N5.O.Cl.Cl

InChI

InChI=1S/C17H18N6O2.2ClH.H2O/c1-2-13-9-24-25-14(13)7-12(1)8-22-3-5-23(6-4-22)17-15-16(19-10-18-15)20-11-21-17;;;/h1-2,7,10-11H,3-6,8-9H2,(H,18,19,20,21);2*1H;1H2