N-(phenylmethyl)-7H-purin-1-ium-6-amine

Systemtic Name: N-(phenylmethyl)-7H-purin-1-ium-6-amine Openeye Name: N-benzyl-7H-purin-1-ium-6-amine CAS Name: N-(phenylmethyl)-7H-purin-1-ium-6-amine IUPAC Name: N-benzyl-7H-purin-1-ium-6-amine Traditional Name: benzyl(7H-purin-1-ium-6-yl)amine Formula: C12H12N5+ MolecularWeight: 226.25718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=[NH+]C=NC3=C2NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=[NH+]C=NC3=C2NC=N3

InChI

InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)/p+1