7,9-dimethyl-3H-purin-9-ium-2,6-dione

Systemtic Name: 7,9-dimethyl-3H-purin-9-ium-2,6-dione Openeye Name: 7,9-dimethyl-3H-purin-9-ium-2,6-dione CAS Name: 7,9-dimethyl-3H-purin-9-ium-2,6-dione IUPAC Name: 7,9-dimethyl-3H-purin-9-ium-2,6-dione Traditional Name: 7,9-dimethyl-3H-purin-9-ium-2,6-quinone Formula: C7H9N4O2+ MolecularWeight: 181.17196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)NC(=O)N2)C

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)NC(=O)N2)C

InChI

InChI=1S/C7H8N4O2/c1-10-3-11(2)5-4(10)6(12)9-7(13)8-5/h3H,1-2H3,(H-,8,9,12,13)/p+1