2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-1-ium-1-yl]ethanoic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-1-ium-1-yl)acetic acid CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-1-ium-1-yl)acetic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-1-ium-1-yl)acetic acid Traditional Name: 2-(2,6-diketo-1,3-dimethyl-7H-purin-1-ium-1-yl)acetic acid Formula: C9H11N4O4+ MolecularWeight: 239.20804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)[N+](C1=O)(C)CC(=O)O)NC=N2

Isomeric SMILES

CN1C2=C(C(=O)[N+](C1=O)(C)CC(=O)O)NC=N2

InChI

InChI=1S/C9H10N4O4/c1-12-7-6(10-4-11-7)8(16)13(2,9(12)17)3-5(14)15/h4H,3H2,1-2H3,(H-,10,11,14,15,16)/p+1