2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7H-purine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7H-purine Traditional Name: 2-(4-piperonylpiperazino)-7H-purine Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)N=CN5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)N=CN5

InChI

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