6-[4-(phenylmethyl)piperazin-1-yl]-7H-purine hydrochloride

Systemtic Name: 6-[4-(phenylmethyl)piperazin-1-yl]-7H-purine hydrochloride Openeye Name: 6-(4-benzylpiperazin-1-yl)-7H-purine hydrochloride CAS Name: 6-[4-(phenylmethyl)-1-piperazinyl]-7H-purine hydrochloride IUPAC Name: 6-(4-benzylpiperazin-1-yl)-7H-purine hydrochloride Traditional Name: 6-(4-benzylpiperazino)-7H-purine hydrochloride Formula: C16H19ClN6 MolecularWeight: 330.81526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3NC=N4.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3NC=N4.Cl

InChI

InChI=1S/C16H18N6.ClH/c1-2-4-13(5-3-1)10-21-6-8-22(9-7-21)16-14-15(18-11-17-14)19-12-20-16;/h1-5,11-12H,6-10H2,(H,17,18,19,20);1H