2-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-3-oxidanyl-4-[6-(trifluoromethyl)pyridin-3-yl]carbonyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-3-oxidanyl-4-[6-(trifluoromethyl)pyridin-3-yl]carbonyl-cyclohex-2-en-1-one Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-3-hydroxy-4-[6-(trifluoromethyl)pyridine-3-carbonyl]cyclohex-2-en-1-one CAS Name: 2-[[(4,6-dimethoxy-2-pyrimidinyl)thio]methyl]-3-hydroxy-4-[oxo-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-cyclohex-2-enone IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-3-hydroxy-4-[6-(trifluoromethyl)pyridine-3-carbonyl]cyclohex-2-en-1-one Traditional Name: 2-[[(4,6-dimethoxypyrimidin-2-yl)thio]methyl]-3-hydroxy-4-[6-(trifluoromethyl)nicotinoyl]cyclohex-2-en-1-one Formula: C20H18F3N3O5S MolecularWeight: 469.43423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SCC2=C(C(CCC2=O)C(=O)C3=CN=C(C=C3)C(F)(F)F)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)SCC2=C(C(CCC2=O)C(=O)C3=CN=C(C=C3)C(F)(F)F)O)OC

InChI

InChI=1S/C20H18F3N3O5S/c1-30-15-7-16(31-2)26-19(25-15)32-9-12-13(27)5-4-11(18(12)29)17(28)10-3-6-14(24-8-10)20(21,22)23/h3,6-8,11,29H,4-5,9H2,1-2H3