1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride

Systemtic Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride Openeye Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride CAS Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride IUPAC Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride Traditional Name: 1,3,7-trimethyl-7H-purin-7-ium-2,6-quinone chloride Formula: C8H11ClN4O2 MolecularWeight: 230.65154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[Cl-]

Isomeric SMILES

C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[Cl-]

InChI

InChI=1S/C8H10N4O2.ClH/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H