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

Systemtic Name: benzenesulfonic acid; 5-fluoranyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-fluoro-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-fluoro-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-fluoro-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [5-fluoro-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C26H18F4N4O3S MolecularWeight: 542.504733

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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)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)N=C1

InChI

InChI=1S/C20H12F4N4.C6H6O3S/c21-17-18(13-4-3-12-2-1-9-25-16(12)10-13)26-11-27-19(17)28-15-7-5-14(6-8-15)20(22,23)24;7-10(8,9)6-4-2-1-3-5-6/h1-11H,(H,26,27,28);1-5H,(H,7,8,9)