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

Systemtic Name: benzenesulfonic acid; 4-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine Openeye Name: benzenesulfonic acid; 4-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine CAS Name: benzenesulfonic acid; 4-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine IUPAC Name: benzenesulfonic acid; 4-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine Traditional Name: besylic acid; [4-(7-quinolyl)pyrimidin-2-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C26H19F3N4O3S MolecularWeight: 524.51427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(F)(F)F)N=C1

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(F)(F)F)N=C1

InChI

InChI=1S/C20H13F3N4.C6H6O3S/c21-20(22,23)15-5-7-16(8-6-15)26-19-25-11-9-17(27-19)14-4-3-13-2-1-10-24-18(13)12-14;7-10(8,9)6-4-2-1-3-5-6/h1-12H,(H,25,26,27);1-5H,(H,7,8,9)