9-methyl-1-(phenylmethyl)purin-1-ium-6-amine bromide

Systemtic Name: 9-methyl-1-(phenylmethyl)purin-1-ium-6-amine bromide Openeye Name: 1-benzyl-9-methyl-purin-1-ium-6-amine bromide CAS Name: 9-methyl-1-(phenylmethyl)-6-purin-1-iumamine bromide IUPAC Name: 1-benzyl-9-methylpurin-1-ium-6-amine bromide Traditional Name: (1-benzyl-9-methyl-purin-1-ium-6-yl)amine bromide Formula: C13H14BrN5 MolecularWeight: 320.18776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C[N+](=C2N)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CN1C=NC2=C1N=C[N+](=C2N)CC3=CC=CC=C3.[Br-]

InChI

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