5-chloranyl-6-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]nicotinate Formula: C11H7ClN3O3S- MolecularWeight: 296.70958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C11H8ClN3O3S/c1-5-2-8(16)15-11(14-5)19-9-7(12)3-6(4-13-9)10(17)18/h2-4H,1H3,(H,17,18)(H,14,15,16)/p-1