7,9-dimethyl-2-(methylamino)-3H-purin-9-ium-6-one chloride

Systemtic Name: 7,9-dimethyl-2-(methylamino)-3H-purin-9-ium-6-one chloride Openeye Name: 7,9-dimethyl-2-(methylamino)-3H-purin-9-ium-6-one chloride CAS Name: 7,9-dimethyl-2-(methylamino)-3H-purin-9-ium-6-one chloride IUPAC Name: 7,9-dimethyl-2-(methylamino)-3H-purin-9-ium-6-one chloride Traditional Name: 7,9-dimethyl-2-(methylamino)-3H-purin-9-ium-6-one chloride Formula: C8H12ClN5O MolecularWeight: 229.66678

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=O)C2=C(N1)[N+](=CN2C)C.[Cl-]

Isomeric SMILES

CNC1=NC(=O)C2=C(N1)[N+](=CN2C)C.[Cl-]

InChI

InChI=1S/C8H11N5O.ClH/c1-9-8-10-6-5(7(14)11-8)12(2)4-13(6)3;/h4H,1-3H3,(H-,9,10,11,14);1H