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

Systemtic Name: methyl-[9-(phenylmethyl)purin-6-yl]azanium chloride Openeye Name: (9-benzylpurin-6-yl)-methyl-ammonium chloride CAS Name: methyl-[9-(phenylmethyl)-6-purinyl]ammonium chloride IUPAC Name: (9-benzylpurin-6-yl)-methylazanium chloride Traditional Name: (9-benzylpurin-6-yl)-methyl-ammonium chloride Formula: C13H14ClN5 MolecularWeight: 275.73676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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