5,6-bis(chloranyl)-N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5,6-bis(chloranyl)-N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5,6-dichloro-N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5,6-dichloro-N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5,6-dichloro-N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5,6-dichloro-N-[(4,6-dimethoxypyrimidin-2-yl)thiocarbamoyl]nicotinamide Formula: C13H11Cl2N5O3S MolecularWeight: 388.22914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11Cl2N5O3S/c1-22-8-4-9(23-2)18-12(17-8)20-13(24)19-11(21)6-3-7(14)10(15)16-5-6/h3-5H,1-2H3,(H2,17,18,19,20,21,24)