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

Systemtic Name: benzenesulfonic acid; 2-cyclopropyl-5-methyl-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 2-cyclopropyl-5-methyl-6-(7-quinolyl)-N-[5-(trifluoromethyl)-2-pyridyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 2-cyclopropyl-5-methyl-6-(7-quinolinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 2-cyclopropyl-5-methyl-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Traditional Name: besylic acid; [2-cyclopropyl-5-methyl-6-(7-quinolyl)pyrimidin-4-yl]-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C29H24F3N5O3S MolecularWeight: 579.59277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NC2=NC=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=NC=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/C23H18F3N5.C6H6O3S/c1-13-20(16-7-4-14-3-2-10-27-18(14)11-16)30-22(15-5-6-15)31-21(13)29-19-9-8-17(12-28-19)23(24,25)26;7-10(8,9)6-4-2-1-3-5-6/h2-4,7-12,15H,5-6H2,1H3,(H,28,29,30,31);1-5H,(H,7,8,9)