N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethylsulfinyl)benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethylsulfinyl)benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3,5-bis(trifluoromethylsulfinyl)benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3,5-bis(trifluoromethylsulfinyl)benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethylsulfinyl)benzamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3,5-bis(trifluoromethylsulfinyl)benzamide Formula: C25H17F6N5O3S2 MolecularWeight: 613.554599

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H17F6N5O3S2/c1-14-4-5-17(11-21(14)36-23-33-8-6-20(35-23)15-3-2-7-32-13-15)34-22(37)16-9-18(40(38)24(26,27)28)12-19(10-16)41(39)25(29,30)31/h2-13H,1H3,(H,34,37)(H,33,35,36)