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

Systemtic Name: [9-(2-methoxy-2-oxidanylidene-1-phenyl-ethyl)purin-6-yl]-methyl-azanium chloride Openeye Name: [9-(2-methoxy-2-oxo-1-phenyl-ethyl)purin-6-yl]-methyl-ammonium chloride CAS Name: [9-(2-methoxy-2-oxo-1-phenylethyl)-6-purinyl]-methylammonium chloride IUPAC Name: [9-(2-methoxy-2-oxo-1-phenylethyl)purin-6-yl]-methylazanium chloride Traditional Name: [9-(2-keto-2-methoxy-1-phenyl-ethyl)purin-6-yl]-methyl-ammonium chloride Formula: C15H16ClN5O2 MolecularWeight: 333.77284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O2.ClH/c1-16-13-11-14(18-8-17-13)20(9-19-11)12(15(21)22-2)10-6-4-3-5-7-10;/h3-9,12H,1-2H3,(H,16,17,18);1H