6-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-7H-purin-2-amine

Systemtic Name: 6-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-7H-purin-2-amine Openeye Name: 6-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-7H-purin-2-amine CAS Name: 6-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-7H-purin-2-amine IUPAC Name: 6-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-7H-purin-2-amine Traditional Name: [6-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-7H-purin-2-yl]amine Formula: C16H19ClN7+ MolecularWeight: 344.82196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=NC(=NC4=C3NC=N4)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=NC(=NC4=C3NC=N4)N

InChI

InChI=1S/C16H18ClN7/c17-12-4-2-1-3-11(12)9-23-5-7-24(8-6-23)15-13-14(20-10-19-13)21-16(18)22-15/h1-4,10H,5-9H2,(H3,18,19,20,21,22)/p+1