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

Systemtic Name: 4-pyrrolidin-1-yl-2-(thiophen-2-ylmethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 4-pyrrolidin-1-yl-2-(2-thienylmethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 4-(1-pyrrolidinyl)-2-(thiophen-2-ylmethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 4-pyrrolidin-1-yl-2-(thiophen-2-ylmethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 4-pyrrolidino-2-(2-thenyloxy)-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)OCC4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC=C2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)OCC4=CC=CS4

InChI

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