3-(4,6-dimethoxypyrimidin-2-yl)oxy-3-(methylsulfanylmethyl)-2H-pyridine-2-carboxylate

Systemtic Name: 3-(4,6-dimethoxypyrimidin-2-yl)oxy-3-(methylsulfanylmethyl)-2H-pyridine-2-carboxylate Openeye Name: 3-(4,6-dimethoxypyrimidin-2-yl)oxy-3-(methylsulfanylmethyl)-2H-pyridine-2-carboxylate CAS Name: 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-[(methylthio)methyl]-2H-pyridine-2-carboxylate IUPAC Name: 3-(4,6-dimethoxypyrimidin-2-yl)oxy-3-(methylsulfanylmethyl)-2H-pyridine-2-carboxylate Traditional Name: 3-(4,6-dimethoxypyrimidin-2-yl)oxy-3-[(methylthio)methyl]-2H-pyridine-2-carboxylate Formula: C14H16N3O5S- MolecularWeight: 338.35894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2(C=CC=NC2C(=O)[O-])CSC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2(C=CC=NC2C(=O)[O-])CSC)OC

InChI

InChI=1S/C14H17N3O5S/c1-20-9-7-10(21-2)17-13(16-9)22-14(8-23-3)5-4-6-15-11(14)12(18)19/h4-7,11H,8H2,1-3H3,(H,18,19)/p-1