benzenesulfonic acid; 2-methyl-6-quinolin-7-yl-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

Systemtic Name: benzenesulfonic acid; 2-methyl-6-quinolin-7-yl-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine Openeye Name: benzenesulfonic acid; 2-methyl-6-(7-quinolyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine CAS Name: benzenesulfonic acid; 2-methyl-6-(7-quinolinyl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine IUPAC Name: benzenesulfonic acid; 2-methyl-6-quinolin-7-yl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine Traditional Name: [5-amino-2-methyl-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine; besylic acid Formula: C27H22F3N5O3S MolecularWeight: 553.55549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)NC2=CC=C(C=C2)C(F)(F)F)N)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=NC(=C(C(=N1)NC2=CC=C(C=C2)C(F)(F)F)N)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H16F3N5.C6H6O3S/c1-12-27-19(14-5-4-13-3-2-10-26-17(13)11-14)18(25)20(28-12)29-16-8-6-15(7-9-16)21(22,23)24;7-10(8,9)6-4-2-1-3-5-6/h2-11H,25H2,1H3,(H,27,28,29);1-5H,(H,7,8,9)