benzenesulfonic acid; 2-cyclopropyl-5-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 2-cyclopropyl-5-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 2-cyclopropyl-5-methyl-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 2-cyclopropyl-5-methyl-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 2-cyclopropyl-5-methyl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [2-cyclopropyl-5-methyl-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C30H25F3N4O3S MolecularWeight: 578.60471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NC2=CC=C(C=C2)C(F)(F)F)C3CC3)C4=CC5=C(C=CC=N5)C=C4.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=C(N=C1NC2=CC=C(C=C2)C(F)(F)F)C3CC3)C4=CC5=C(C=CC=N5)C=C4.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H19F3N4.C6H6O3S/c1-14-21(17-7-4-15-3-2-12-28-20(15)13-17)30-23(16-5-6-16)31-22(14)29-19-10-8-18(9-11-19)24(25,26)27;7-10(8,9)6-4-2-1-3-5-6/h2-4,7-13,16H,5-6H2,1H3,(H,29,30,31);1-5H,(H,7,8,9)