2-(4,5-dimethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4,5-dimethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(4,5-dimethyl-6-oxido-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,5-dimethyl-6-oxido-2-pyrimidinyl)thio]acetate IUPAC Name: 2-(4,5-dimethyl-6-oxidopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,5-dimethyl-6-oxido-pyrimidin-2-yl)thio]acetate Formula: C8H8N2O3S-2 MolecularWeight: 212.22572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC(=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC(=O)[O-])C

InChI

InChI=1S/C8H10N2O3S/c1-4-5(2)9-8(10-7(4)13)14-3-6(11)12/h3H2,1-2H3,(H,11,12)(H,9,10,13)/p-2