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

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 2-(2-furylmethylsulfanyl)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 2-(2-furanylmethylthio)-4-(1-pyrrolidinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-(furan-2-ylmethylsulfanyl)-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 2-(2-furfurylthio)-4-pyrrolidino-N-[4-(trifluoromethyl)benzyl]pyrimidine-5-carboxamide Formula: C22H21F3N4O2S MolecularWeight: 462.48795

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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=CO4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC=C2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)SCC4=CC=CO4

InChI

InChI=1S/C22H21F3N4O2S/c23-22(24,25)16-7-5-15(6-8-16)12-26-20(30)18-13-27-21(32-14-17-4-3-11-31-17)28-19(18)29-9-1-2-10-29/h3-8,11,13H,1-2,9-10,12,14H2,(H,26,30)