[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C20H16F3N3O2S MolecularWeight: 419.42015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O2S/c1-12-10-17(26-19(24-12)29-2)25-15-4-3-5-16(11-15)28-18(27)13-6-8-14(9-7-13)20(21,22)23/h3-11H,1-2H3,(H,24,25,26)