2-[(2-piperazin-1-ylpyrimidin-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(2-piperazin-1-ylpyrimidin-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(2-piperazin-1-ylpyrimidin-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1-piperazinyl)-4-pyrimidinyl]methylthio]-N-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(2-piperazin-1-ylpyrimidin-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(2-piperazinopyrimidin-4-yl)methylthio]-N-[3-(trifluoromethyl)phenyl]nicotinamide Formula: C22H21F3N6OS MolecularWeight: 474.50195

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CC(=N2)CSC3=C(C=CC=N3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=NC=CC(=N2)CSC3=C(C=CC=N3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N6OS/c23-22(24,25)15-3-1-4-16(13-15)29-19(32)18-5-2-7-27-20(18)33-14-17-6-8-28-21(30-17)31-11-9-26-10-12-31/h1-8,13,26H,9-12,14H2,(H,29,32)