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

Systemtic Name: 2-[1-ethyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-(1-ethyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(1-ethyl-3,7-dimethyl-2,6-dioxo-8-purinyl)thio]acetate IUPAC Name: 2-(1-ethyl-3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(1-ethyl-2,6-diketo-3,7-dimethyl-purin-8-yl)thio]acetate Formula: C11H13N4O4S- MolecularWeight: 297.31032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)[O-])N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)[O-])N(C1=O)C

InChI

InChI=1S/C11H14N4O4S/c1-4-15-9(18)7-8(14(3)11(15)19)12-10(13(7)2)20-5-6(16)17/h4-5H2,1-3H3,(H,16,17)/p-1