2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]ethanoate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]ethanoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetate IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)acetate Formula: C9H9N4O4- MolecularWeight: 237.19216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O4/c1-12-7-6(8(16)13(2)9(12)17)10-4(11-7)3-5(14)15/h3H2,1-2H3,(H,10,11)(H,14,15)/p-1