3-(phenylmethyl)-7H-purin-3-ium-6-amine

Systemtic Name: 3-(phenylmethyl)-7H-purin-3-ium-6-amine Openeye Name: 3-benzyl-7H-purin-3-ium-6-amine CAS Name: 3-(phenylmethyl)-7H-purin-3-ium-6-amine IUPAC Name: 3-benzyl-7H-purin-3-ium-6-amine Traditional Name: (3-benzyl-7H-purin-3-ium-6-yl)amine Formula: C12H12N5+ MolecularWeight: 226.25718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C3C(=C(N=C2)N)NC=N3

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3C(=C(N=C2)N)NC=N3

InChI

InChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15)/p+1