2-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(2-azanylpyrimidin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide CAS Name: 2-[(2-amino-4-pyrimidinyl)methylthio]-N-[4-(trifluoromethoxy)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(2-aminopyrimidin-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(2-aminopyrimidin-4-yl)methylthio]-N-[4-(trifluoromethoxy)phenyl]nicotinamide Formula: C18H14F3N5O2S MolecularWeight: 421.39627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=NC(=NC=C2)N)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=NC(=NC=C2)N)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H14F3N5O2S/c19-18(20,21)28-13-5-3-11(4-6-13)25-15(27)14-2-1-8-23-16(14)29-10-12-7-9-24-17(22)26-12/h1-9H,10H2,(H,25,27)(H2,22,24,26)