benzenesulfonic acid; 6-quinolin-7-yl-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

Systemtic Name: benzenesulfonic acid; 6-quinolin-7-yl-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine Openeye Name: benzenesulfonic acid; 6-(7-quinolyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine CAS Name: benzenesulfonic acid; 6-(7-quinolinyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine IUPAC Name: benzenesulfonic acid; 6-quinolin-7-yl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine; besylic acid Formula: C26H20F3N5O3S MolecularWeight: 539.52891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C(C=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)N)N=C1

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C(C=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)N)N=C1

InChI

InChI=1S/C20H14F3N5.C6H6O3S/c21-20(22,23)14-5-7-15(8-6-14)28-19-17(24)18(26-11-27-19)13-4-3-12-2-1-9-25-16(12)10-13;7-10(8,9)6-4-2-1-3-5-6/h1-11H,24H2,(H,26,27,28);1-5H,(H,7,8,9)