2-chloranyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7H-purine

Systemtic Name: 2-chloranyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7H-purine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-7H-purine CAS Name: 2-chloro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-7H-purine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-7H-purine Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-chloro-7H-purine Formula: C16H18ClN6+ MolecularWeight: 329.80732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl

InChI

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