7-methyl-3-(phenylmethyl)purin-3-ium-6-amine iodide

Systemtic Name: 7-methyl-3-(phenylmethyl)purin-3-ium-6-amine iodide Openeye Name: 3-benzyl-7-methyl-purin-3-ium-6-amine iodide CAS Name: 7-methyl-3-(phenylmethyl)-6-purin-3-iumamine iodide IUPAC Name: 3-benzyl-7-methylpurin-3-ium-6-amine iodide Traditional Name: (3-benzyl-7-methyl-purin-3-ium-6-yl)amine iodide Formula: C13H14IN5 MolecularWeight: 367.18823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=[N+](C=NC(=C21)N)CC3=CC=CC=C3.[I-]

Isomeric SMILES

CN1C=NC2=[N+](C=NC(=C21)N)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C13H13N5.HI/c1-17-8-16-13-11(17)12(14)15-9-18(13)7-10-5-3-2-4-6-10;/h2-6,8-9,14H,7H2,1H3;1H