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

Systemtic Name: [1-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl] ethanoate Openeye Name: (1-methyl-2,6-dioxo-7H-purin-3-yl) acetate CAS Name: acetic acid (1-methyl-2,6-dioxo-7H-purin-3-yl) ester IUPAC Name: (1-methyl-2,6-dioxo-7H-purin-3-yl) acetate Traditional Name: acetic acid (2,6-diketo-1-methyl-7H-purin-3-yl) ester Formula: C8H8N4O4 MolecularWeight: 224.17352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C2=C(C(=O)N(C1=O)C)NC=N2

Isomeric SMILES

CC(=O)ON1C2=C(C(=O)N(C1=O)C)NC=N2

InChI

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