[9-methyl-7-(phenylmethyl)purin-9-ium-6-yl]-[(2-methylpropan-2-yl)oxy]azanide

Systemtic Name: [9-methyl-7-(phenylmethyl)purin-9-ium-6-yl]-[(2-methylpropan-2-yl)oxy]azanide Openeye Name: (7-benzyl-9-methyl-purin-9-ium-6-yl)-tert-butoxy-azanide CAS Name: [9-methyl-7-(phenylmethyl)-6-purin-9-iumyl]-[(2-methylpropan-2-yl)oxy]azanide IUPAC Name: (7-benzyl-9-methylpurin-9-ium-6-yl)-[(2-methylpropan-2-yl)oxy]azanide Traditional Name: (7-benzyl-9-methyl-purin-9-ium-6-yl)-tert-butoxy-azanide Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)O[N-]C1=C2C(=NC=N1)[N+](=CN2CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)O[N-]C1=C2C(=NC=N1)[N+](=CN2CC3=CC=CC=C3)C

InChI

InChI=1S/C17H21N5O/c1-17(2,3)23-20-15-14-16(19-11-18-15)21(4)12-22(14)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3