(4-isothiocyanato-4,6-dimethoxy-2-methyl-pyrimidin-1-yl) pyridine-2-carboxylate

Systemtic Name: (4-isothiocyanato-4,6-dimethoxy-2-methyl-pyrimidin-1-yl) pyridine-2-carboxylate Openeye Name: (4-isothiocyanato-4,6-dimethoxy-2-methyl-pyrimidin-1-yl) pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid (4-isothiocyanato-4,6-dimethoxy-2-methyl-1-pyrimidinyl) ester IUPAC Name: (4-isothiocyanato-4,6-dimethoxy-2-methylpyrimidin-1-yl) pyridine-2-carboxylate Traditional Name: picolinic acid (4-isothiocyanato-4,6-dimethoxy-2-methyl-pyrimidin-1-yl) ester Formula: C14H14N4O4S MolecularWeight: 334.35036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C=C(N1OC(=O)C2=CC=CC=N2)OC)(N=C=S)OC

Isomeric SMILES

CC1=NC(C=C(N1OC(=O)C2=CC=CC=N2)OC)(N=C=S)OC

InChI

InChI=1S/C14H14N4O4S/c1-10-17-14(21-3,16-9-23)8-12(20-2)18(10)22-13(19)11-6-4-5-7-15-11/h4-8H,1-3H3