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

Systemtic Name: methyl 2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: methyl 2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]acetic acid methyl ester Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H14N4O4S/c1-13-7-8(12-10(13)20-5-6(16)19-4)14(2)11(18)15(3)9(7)17/h5H2,1-4H3