6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-7H-purine

Systemtic Name: 6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-7H-purine Openeye Name: 6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-7H-purine CAS Name: 6-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-7H-purine IUPAC Name: 6-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-7H-purine Traditional Name: 6-[4-(2-chlorobenzyl)piperazino]-7H-purine Formula: C16H17ClN6 MolecularWeight: 328.79938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Cl)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H17ClN6/c17-13-4-2-1-3-12(13)9-22-5-7-23(8-6-22)16-14-15(19-10-18-14)20-11-21-16/h1-4,10-11H,5-9H2,(H,18,19,20,21)