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

Systemtic Name: 2-(phenylmethylsulfanyl)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 2-benzylsulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 2-(phenylmethylthio)-4-(1-pyrrolidinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 2-(benzylthio)-4-pyrrolidino-N-[4-(trifluoromethyl)benzyl]pyrimidine-5-carboxamide Formula: C24H23F3N4OS MolecularWeight: 472.52583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC=C2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC=C2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)SCC4=CC=CC=C4

InChI

InChI=1S/C24H23F3N4OS/c25-24(26,27)19-10-8-17(9-11-19)14-28-22(32)20-15-29-23(30-21(20)31-12-4-5-13-31)33-16-18-6-2-1-3-7-18/h1-3,6-11,15H,4-5,12-14,16H2,(H,28,32)