[2-iodanyl-9-(phenylmethyl)purin-6-yl]-methyl-azanium chloride

Systemtic Name: [2-iodanyl-9-(phenylmethyl)purin-6-yl]-methyl-azanium chloride Openeye Name: (9-benzyl-2-iodo-purin-6-yl)-methyl-ammonium chloride CAS Name: [2-iodo-9-(phenylmethyl)-6-purinyl]-methylammonium chloride IUPAC Name: (9-benzyl-2-iodopurin-6-yl)-methylazanium chloride Traditional Name: (9-benzyl-2-iodo-purin-6-yl)-methyl-ammonium chloride Formula: C13H13ClIN5 MolecularWeight: 401.63329

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)I.[Cl-]

Isomeric SMILES

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)I.[Cl-]

InChI

InChI=1S/C13H12IN5.ClH/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H,15,17,18);1H