1-oxidanylidene-3,7-dihydropurin-1-ium-2,6-dione

Systemtic Name: 1-oxidanylidene-3,7-dihydropurin-1-ium-2,6-dione Openeye Name: 1-oxo-3,7-dihydropurin-1-ium-2,6-dione CAS Name: 1-oxo-3,7-dihydropurin-1-ium-2,6-dione IUPAC Name: 1-oxo-3,7-dihydropurin-1-ium-2,6-dione Traditional Name: 1-keto-3,7-dihydropurin-1-ium-2,6-quinone Formula: C5H3N4O3+ MolecularWeight: 167.10232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)[N+](=O)C(=O)N2

Isomeric SMILES

C1=NC2=C(N1)C(=O)[N+](=O)C(=O)N2

InChI

InChI=1S/C5H2N4O3/c10-4-2-3(7-1-6-2)8-5(11)9(4)12/h1H,(H-,6,7,8,10,11,12)/p+1