benzenesulfonic acid; 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 6-(8-ethyl-7-quinolyl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 6-(8-ethyl-7-quinolinyl)-5-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 6-(8-ethylquinolin-7-yl)-5-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Traditional Name: besylic acid; [6-(8-ethyl-7-quinolyl)-5-methyl-pyrimidin-4-yl]-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C28H24F3N5O3S MolecularWeight: 567.58207

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1N=CC=C2)C3=C(C(=NC=N3)NC4=NC=C(C=C4)C(F)(F)F)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C=CC2=C1N=CC=C2)C3=C(C(=NC=N3)NC4=NC=C(C=C4)C(F)(F)F)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H18F3N5.C6H6O3S/c1-3-16-17(8-6-14-5-4-10-26-20(14)16)19-13(2)21(29-12-28-19)30-18-9-7-15(11-27-18)22(23,24)25;7-10(8,9)6-4-2-1-3-5-6/h4-12H,3H2,1-2H3,(H,27,28,29,30);1-5H,(H,7,8,9)