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

Systemtic Name: N-(4-methylpiperazin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-methylpiperazin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(4-methyl-1-piperazinyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(4-methylpiperazin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(4-methylpiperazino)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C19H22F3N5OS MolecularWeight: 425.47109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN1CCN(CC1)C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NN1CCN(CC1)C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C19H22F3N5OS/c1-13(17(28)25-27-10-8-26(2)9-11-27)29-18-23-15(14-6-4-3-5-7-14)12-16(24-18)19(20,21)22/h3-7,12-13H,8-11H2,1-2H3,(H,25,28)