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

Systemtic Name: benzenesulfonic acid; 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-methyl-2-morpholino-6-(7-quinolyl)-N-[5-(trifluoromethyl)-2-pyridyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methyl-2-(4-morpholinyl)-6-(7-quinolinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Traditional Name: besylic acid; [5-methyl-2-morpholino-6-(7-quinolyl)pyrimidin-4-yl]-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C30H27F3N6O4S MolecularWeight: 624.63339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NC2=NC=C(C=C2)C(F)(F)F)N3CCOCC3)C4=CC5=C(C=CC=N5)C=C4.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=C(N=C1NC2=NC=C(C=C2)C(F)(F)F)N3CCOCC3)C4=CC5=C(C=CC=N5)C=C4.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H21F3N6O.C6H6O3S/c1-15-21(17-5-4-16-3-2-8-28-19(16)13-17)31-23(33-9-11-34-12-10-33)32-22(15)30-20-7-6-18(14-29-20)24(25,26)27;7-10(8,9)6-4-2-1-3-5-6/h2-8,13-14H,9-12H2,1H3,(H,29,30,31,32);1-5H,(H,7,8,9)