benzenesulfonic acid; 6-quinolin-7-yl-4-[[4-(trifluoromethyl)phenyl]amino]-1H-pyrimidin-2-one

Systemtic Name: benzenesulfonic acid; 6-quinolin-7-yl-4-[[4-(trifluoromethyl)phenyl]amino]-1H-pyrimidin-2-one Openeye Name: benzenesulfonic acid; 6-(7-quinolyl)-4-[4-(trifluoromethyl)anilino]-1H-pyrimidin-2-one CAS Name: benzenesulfonic acid; 6-(7-quinolinyl)-4-[4-(trifluoromethyl)anilino]-1H-pyrimidin-2-one IUPAC Name: benzenesulfonic acid; 6-quinolin-7-yl-4-[4-(trifluoromethyl)anilino]-1H-pyrimidin-2-one Traditional Name: besylic acid; 6-(7-quinolyl)-4-[4-(trifluoromethyl)anilino]-1H-pyrimidin-2-one Formula: C26H19F3N4O4S MolecularWeight: 540.51367

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

InChI

InChI=1S/C20H13F3N4O.C6H6O3S/c21-20(22,23)14-5-7-15(8-6-14)25-18-11-17(26-19(28)27-18)13-4-3-12-2-1-9-24-16(12)10-13;7-10(8,9)6-4-2-1-3-5-6/h1-11H,(H2,25,26,27,28);1-5H,(H,7,8,9)