2-[1-methyl-2,6-bis(oxidanylidene)-3,9-dihydropurin-7-ium-7-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-2,6-bis(oxidanylidene)-3,9-dihydropurin-7-ium-7-yl]ethanoic acid Openeye Name: 2-(1-methyl-2,6-dioxo-3,9-dihydropurin-7-ium-7-yl)acetic acid CAS Name: 2-(1-methyl-2,6-dioxo-3,9-dihydropurin-7-ium-7-yl)acetic acid IUPAC Name: 2-(1-methyl-2,6-dioxo-3,9-dihydropurin-7-ium-7-yl)acetic acid Traditional Name: 2-(2,6-diketo-1-methyl-3,9-dihydropurin-7-ium-7-yl)acetic acid Formula: C8H9N4O4+ MolecularWeight: 225.18146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC=[N+]2CC(=O)O)NC1=O

Isomeric SMILES

CN1C(=O)C2=C(NC=[N+]2CC(=O)O)NC1=O

InChI

InChI=1S/C8H8N4O4/c1-11-7(15)5-6(10-8(11)16)9-3-12(5)2-4(13)14/h3H,2H2,1H3,(H2,10,13,14,15,16)/p+1