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

Systemtic Name: methyl 2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethanoate Openeye Name: methyl 2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetate CAS Name: 2-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)acetic acid methyl ester IUPAC Name: methyl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetate Traditional Name: 2-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)acetic acid methyl ester Formula: C11H14N4O4 MolecularWeight: 266.25326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC(=O)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC(=O)OC

InChI

InChI=1S/C11H14N4O4/c1-13-6(5-7(16)19-4)12-9-8(13)10(17)15(3)11(18)14(9)2/h5H2,1-4H3