2-[(3-methylphenyl)methylsulfanyl]-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 2-(m-tolylmethylsulfanyl)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 2-[(3-methylphenyl)methylthio]-4-(1-pyrrolidinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 2-[(3-methylbenzyl)thio]-4-pyrrolidino-N-[4-(trifluoromethyl)benzyl]pyrimidine-5-carboxamide Formula: C25H25F3N4OS MolecularWeight: 486.55241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)N3CCCC3)C(=O)NCC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)N3CCCC3)C(=O)NCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H25F3N4OS/c1-17-5-4-6-19(13-17)16-34-24-30-15-21(22(31-24)32-11-2-3-12-32)23(33)29-14-18-7-9-20(10-8-18)25(26,27)28/h4-10,13,15H,2-3,11-12,14,16H2,1H3,(H,29,33)