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

Systemtic Name: 9-methyl-7-(phenylmethyl)purin-9-ium-6-amine chloride Openeye Name: 7-benzyl-9-methyl-purin-9-ium-6-amine chloride CAS Name: 9-methyl-7-(phenylmethyl)-6-purin-9-iumamine chloride IUPAC Name: 7-benzyl-9-methylpurin-9-ium-6-amine chloride Traditional Name: (7-benzyl-9-methyl-purin-9-ium-6-yl)amine chloride Formula: C13H14ClN5 MolecularWeight: 275.73676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N5.ClH/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);1H/q+1;/p-1