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

Systemtic Name: benzenesulfonic acid; 6-quinolin-6-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 6-(6-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 6-(6-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 6-quinolin-6-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [6-(6-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C26H19F3N4O3S MolecularWeight: 524.51427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13F3N4.C6H6O3S/c21-20(22,23)15-4-6-16(7-5-15)27-19-11-18(25-12-26-19)14-3-8-17-13(10-14)2-1-9-24-17;7-10(8,9)6-4-2-1-3-5-6/h1-12H,(H,25,26,27);1-5H,(H,7,8,9)