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

Systemtic Name: 2-(dimethylamino)-7,9-dimethyl-3H-purin-9-ium-6-one chloride Openeye Name: 2-(dimethylamino)-7,9-dimethyl-3H-purin-9-ium-6-one chloride CAS Name: 2-(dimethylamino)-7,9-dimethyl-3H-purin-9-ium-6-one chloride IUPAC Name: 2-(dimethylamino)-7,9-dimethyl-3H-purin-9-ium-6-one chloride Traditional Name: 2-(dimethylamino)-7,9-dimethyl-3H-purin-9-ium-6-one chloride Formula: C9H14ClN5O MolecularWeight: 243.69336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N=C(N2)N(C)C)C.[Cl-]

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N=C(N2)N(C)C)C.[Cl-]

InChI

InChI=1S/C9H13N5O.ClH/c1-12(2)9-10-7-6(8(15)11-9)13(3)5-14(7)4;/h5H,1-4H3;1H