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

Systemtic Name: benzenesulfonic acid; 5-methyl-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-methyl-6-(7-quinolyl)-N-[5-(trifluoromethyl)-2-pyridyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methyl-6-(7-quinolinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methyl-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Traditional Name: besylic acid; [5-methyl-6-(7-quinolyl)pyrimidin-4-yl]-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C26H20F3N5O3S MolecularWeight: 539.52891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1NC2=NC=C(C=C2)C(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=NC=C(C=C2)C(F)(F)F)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H14F3N5.C6H6O3S/c1-12-18(14-5-4-13-3-2-8-24-16(13)9-14)26-11-27-19(12)28-17-7-6-15(10-25-17)20(21,22)23;7-10(8,9)6-4-2-1-3-5-6/h2-11H,1H3,(H,25,26,27,28);1-5H,(H,7,8,9)