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

Systemtic Name: 2-[7-(2-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]acetate IUPAC Name: 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-7-(2-methoxyethyl)-3-methyl-purin-8-yl]thio]acetate Formula: C11H13N4O5S- MolecularWeight: 313.30972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)[O-])CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)[O-])CCOC

InChI

InChI=1S/C11H14N4O5S/c1-14-8-7(9(18)13-10(14)19)15(3-4-20-2)11(12-8)21-5-6(16)17/h3-5H2,1-2H3,(H,16,17)(H,13,18,19)/p-1