methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-isothiocyanato-pyridine-2-carboxylate

Systemtic Name: methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-isothiocyanato-pyridine-2-carboxylate Openeye Name: methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-isothiocyanato-pyridine-2-carboxylate CAS Name: 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-isothiocyanato-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-isothiocyanatopyridine-2-carboxylate Traditional Name: 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-isothiocyanato-picolinic acid methyl ester Formula: C14H12N4O5S MolecularWeight: 348.33388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(N=C(C=C2)N=C=S)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(N=C(C=C2)N=C=S)C(=O)OC)OC

InChI

InChI=1S/C14H12N4O5S/c1-20-10-6-11(21-2)18-14(17-10)23-8-4-5-9(15-7-24)16-12(8)13(19)22-3/h4-6H,1-3H3