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

Systemtic Name: methyl-[9-(phenylmethyl)-2-propyl-purin-6-yl]azanium chloride Openeye Name: (9-benzyl-2-propyl-purin-6-yl)-methyl-ammonium chloride CAS Name: methyl-[9-(phenylmethyl)-2-propyl-6-purinyl]ammonium chloride IUPAC Name: (9-benzyl-2-propylpurin-6-yl)-methylazanium chloride Traditional Name: (9-benzyl-2-propyl-purin-6-yl)-methyl-ammonium chloride Formula: C16H20ClN5 MolecularWeight: 317.8165

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)[NH2+]C)N=CN2CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCC1=NC2=C(C(=N1)[NH2+]C)N=CN2CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H19N5.ClH/c1-3-7-13-19-15(17-2)14-16(20-13)21(11-18-14)10-12-8-5-4-6-9-12;/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,17,19,20);1H