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

Systemtic Name: 2-(2-methylpropylsulfanyl)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 2-isobutylsulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 2-(2-methylpropylthio)-4-(1-pyrrolidinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-(2-methylpropylsulfanyl)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 2-(isobutylthio)-4-pyrrolidino-N-[4-(trifluoromethyl)benzyl]pyrimidine-5-carboxamide Formula: C21H25F3N4OS MolecularWeight: 438.50961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC=C(C(=N1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)CSC1=NC=C(C(=N1)N2CCCC2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4OS/c1-14(2)13-30-20-26-12-17(18(27-20)28-9-3-4-10-28)19(29)25-11-15-5-7-16(8-6-15)21(22,23)24/h5-8,12,14H,3-4,9-11,13H2,1-2H3,(H,25,29)