3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-1-yl)propanamide

Systemtic Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-1-yl)propanamide Openeye Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-1-yl)propanamide CAS Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(4-methyl-1-piperazinyl)propanamide IUPAC Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-1-yl)propanamide Traditional Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(4-methylpiperazino)propionamide Formula: C20H24F3N5O2S MolecularWeight: 455.49707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1CCN(CC1)NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24F3N5O2S/c1-27-8-10-28(11-9-27)26-18(29)7-12-31-19-24-16(13-17(25-19)20(21,22)23)14-3-5-15(30-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,26,29)