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

Systemtic Name: 2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 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]acetate IUPAC Name: 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]acetate Formula: C10H11N4O4S- MolecularWeight: 283.28374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H12N4O4S/c1-12-6-7(11-9(12)19-4-5(15)16)13(2)10(18)14(3)8(6)17/h4H2,1-3H3,(H,15,16)/p-1