benzenesulfonic acid; 5-methyl-2-methylsulfanyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 5-methyl-2-methylsulfanyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-methyl-2-methylsulfanyl-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methyl-2-(methylthio)-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methyl-2-methylsulfanyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [5-methyl-2-(methylthio)-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C28H23F3N4O3S2 MolecularWeight: 584.63243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NC2=CC=C(C=C2)C(F)(F)F)SC)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=C(N=C1NC2=CC=C(C=C2)C(F)(F)F)SC)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H17F3N4S.C6H6O3S/c1-13-19(15-6-5-14-4-3-11-26-18(14)12-15)28-21(30-2)29-20(13)27-17-9-7-16(8-10-17)22(23,24)25;7-10(8,9)6-4-2-1-3-5-6/h3-12H,1-2H3,(H,27,28,29);1-5H,(H,7,8,9)