9-methyl-7-(phenylmethyl)purin-9-ium-6-amine

Systemtic Name: 9-methyl-7-(phenylmethyl)purin-9-ium-6-amine Openeye Name: 7-benzyl-9-methyl-purin-9-ium-6-amine CAS Name: 9-methyl-7-(phenylmethyl)-6-purin-9-iumamine IUPAC Name: 7-benzyl-9-methylpurin-9-ium-6-amine Traditional Name: (7-benzyl-9-methyl-purin-9-ium-6-yl)amine Formula: C13H14N5+ MolecularWeight: 240.28376

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1N=CN=C2N)CC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CN(C2=C1N=CN=C2N)CC3=CC=CC=C3

InChI

InChI=1S/C13H14N5/c1-17-9-18(7-10-5-3-2-4-6-10)11-12(14)15-8-16-13(11)17/h2-6,8-9H,7H2,1H3,(H2,14,15,16)/q+1