methyl 2-(pyrimidin-2-ylsulfanylmethyl)pyridine-4-carboxylate

Systemtic Name: methyl 2-(pyrimidin-2-ylsulfanylmethyl)pyridine-4-carboxylate Openeye Name: methyl 2-(pyrimidin-2-ylsulfanylmethyl)pyridine-4-carboxylate CAS Name: 2-[(2-pyrimidinylthio)methyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(pyrimidin-2-ylsulfanylmethyl)pyridine-4-carboxylate Traditional Name: 2-[(2-pyrimidylthio)methyl]isonicotinic acid methyl ester Formula: C12H11N3O2S MolecularWeight: 261.29964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC=C1)CSC2=NC=CC=N2

Isomeric SMILES

COC(=O)C1=CC(=NC=C1)CSC2=NC=CC=N2

InChI

InChI=1S/C12H11N3O2S/c1-17-11(16)9-3-6-13-10(7-9)8-18-12-14-4-2-5-15-12/h2-7H,8H2,1H3