1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-3-ium-3-carboxylic acid

Systemtic Name: 1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-3-ium-3-carboxylic acid Openeye Name: 1,3-dimethyl-2,6-dioxo-9H-purin-3-ium-3-carboxylic acid CAS Name: 1,3-dimethyl-2,6-dioxo-9H-purin-3-ium-3-carboxylic acid IUPAC Name: 1,3-dimethyl-2,6-dioxo-9H-purin-3-ium-3-carboxylic acid Traditional Name: 2,6-diketo-1,3-dimethyl-9H-purin-3-ium-3-carboxylic acid Formula: C8H9N4O4+ MolecularWeight: 225.18146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC=N2)[N+](C1=O)(C)C(=O)O

Isomeric SMILES

CN1C(=O)C2=C(NC=N2)[N+](C1=O)(C)C(=O)O

InChI

InChI=1S/C8H8N4O4/c1-11-6(13)4-5(10-3-9-4)12(2,7(11)14)8(15)16/h3H,1-2H3,(H-,9,10,13,15,16)/p+1