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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=N1)[NH2+]C)N=CN2CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)C1=NC2=C(C(=N1)[NH2+]C)N=CN2CC3=CC=CC=C3.[Cl-]

InChI

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