benzenesulfonic acid; N-[3-fluoranyl-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-6-quinolin-7-yl-pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; N-[3-fluoranyl-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-6-quinolin-7-yl-pyrimidin-4-amine Openeye Name: benzenesulfonic acid; N-[3-fluoro-5-(trifluoromethyl)-2-pyridyl]-5-methyl-6-(7-quinolyl)pyrimidin-4-amine CAS Name: benzenesulfonic acid; N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-6-(7-quinolinyl)-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; N-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-6-quinolin-7-ylpyrimidin-4-amine Traditional Name: besylic acid; [3-fluoro-5-(trifluoromethyl)-2-pyridyl]-[5-methyl-6-(7-quinolyl)pyrimidin-4-yl]amine Formula: C26H19F4N5O3S MolecularWeight: 557.519373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1NC2=C(C=C(C=N2)C(F)(F)F)F)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=CN=C1NC2=C(C=C(C=N2)C(F)(F)F)F)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H13F4N5.C6H6O3S/c1-11-17(13-5-4-12-3-2-6-25-16(12)7-13)27-10-28-18(11)29-19-15(21)8-14(9-26-19)20(22,23)24;7-10(8,9)6-4-2-1-3-5-6/h2-10H,1H3,(H,26,27,28,29);1-5H,(H,7,8,9)