benzenesulfonic acid; 5-fluoranyl-6-(8-fluoranylquinolin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 5-fluoranyl-6-(8-fluoranylquinolin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-fluoro-6-(8-fluoro-7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-fluoro-6-(8-fluoro-7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-fluoro-6-(8-fluoroquinolin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [5-fluoro-6-(8-fluoro-7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C26H17F5N4O3S MolecularWeight: 560.495196

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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)F)F)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)F)F)N=C1

InChI

InChI=1S/C20H11F5N4.C6H6O3S/c21-15-14(8-3-11-2-1-9-26-17(11)15)18-16(22)19(28-10-27-18)29-13-6-4-12(5-7-13)20(23,24)25;7-10(8,9)6-4-2-1-3-5-6/h1-10H,(H,27,28,29);1-5H,(H,7,8,9)