N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethylsulfinyl)pyridine-3-carboxamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethylsulfinyl)pyridine-3-carboxamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethylsulfinyl)pyridine-3-carboxamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-5-(trifluoromethylsulfinyl)-3-pyridinecarboxamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethylsulfinyl)pyridine-3-carboxamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethylsulfinyl)nicotinamide Formula: C23H17F3N6O2S MolecularWeight: 498.48029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CN=C2)S(=O)C(F)(F)F)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CN=C2)S(=O)C(F)(F)F)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C23H17F3N6O2S/c1-14-4-5-17(30-21(33)16-9-18(13-28-12-16)35(34)23(24,25)26)10-20(14)32-22-29-8-6-19(31-22)15-3-2-7-27-11-15/h2-13H,1H3,(H,30,33)(H,29,31,32)