methyl 2-[1,3,7-trimethyl-2,6,8-tris(oxidanylidene)purin-9-yl]ethanoate

Systemtic Name: methyl 2-[1,3,7-trimethyl-2,6,8-tris(oxidanylidene)purin-9-yl]ethanoate Openeye Name: methyl 2-(1,3,7-trimethyl-2,6,8-trioxo-purin-9-yl)acetate CAS Name: 2-(1,3,7-trimethyl-2,6,8-trioxo-9-purinyl)acetic acid methyl ester IUPAC Name: methyl 2-(1,3,7-trimethyl-2,6,8-trioxopurin-9-yl)acetate Traditional Name: 2-(2,6,8-triketo-1,3,7-trimethyl-purin-9-yl)acetic acid methyl ester Formula: C11H14N4O5 MolecularWeight: 282.25266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N(C(=O)N(C2=O)C)C)N(C1=O)CC(=O)OC

Isomeric SMILES

CN1C2=C(N(C(=O)N(C2=O)C)C)N(C1=O)CC(=O)OC

InChI

InChI=1S/C11H14N4O5/c1-12-7-8(13(2)10(18)14(3)9(7)17)15(11(12)19)5-6(16)20-4/h5H2,1-4H3