methyl-[9-[2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]purin-6-yl]azanium chloride

Systemtic Name: methyl-[9-[2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]purin-6-yl]azanium chloride Openeye Name: methyl-[9-[2-(methylamino)-2-oxo-1-phenyl-ethyl]purin-6-yl]ammonium chloride CAS Name: methyl-[9-[2-(methylamino)-2-oxo-1-phenylethyl]-6-purinyl]ammonium chloride IUPAC Name: methyl-[9-[2-(methylamino)-2-oxo-1-phenylethyl]purin-6-yl]azanium chloride Traditional Name: [9-[2-keto-2-(methylamino)-1-phenyl-ethyl]purin-6-yl]-methyl-ammonium chloride Formula: C15H17ClN6O MolecularWeight: 332.78808

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC=NC2=C1N=CN2C(C3=CC=CC=C3)C(=O)NC.[Cl-]

Isomeric SMILES

C[NH2+]C1=NC=NC2=C1N=CN2C(C3=CC=CC=C3)C(=O)NC.[Cl-]

InChI

InChI=1S/C15H16N6O.ClH/c1-16-13-11-14(19-8-18-13)21(9-20-11)12(15(22)17-2)10-6-4-3-5-7-10;/h3-9,12H,1-2H3,(H,17,22)(H,16,18,19);1H