2-[4-(3-methoxyphenyl)-6-oxidanidyl-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(3-methoxyphenyl)-6-oxidanidyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(3-methoxyphenyl)-6-oxido-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(3-methoxyphenyl)-6-oxido-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(3-methoxyphenyl)-6-oxidopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(3-methoxyphenyl)-6-oxido-pyrimidin-2-yl]thio]acetate Formula: C13H10N2O4S-2 MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC(=O)[O-])[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC(=O)[O-])[O-]

InChI

InChI=1S/C13H12N2O4S/c1-19-9-4-2-3-8(5-9)10-6-11(16)15-13(14-10)20-7-12(17)18/h2-6H,7H2,1H3,(H,17,18)(H,14,15,16)/p-2