benzenesulfonic acid; 5-methyl-6-quinoxalin-6-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 5-methyl-6-quinoxalin-6-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-methyl-6-quinoxalin-6-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methyl-6-(6-quinoxalinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methyl-6-quinoxalin-6-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; (5-methyl-6-quinoxalin-6-yl-pyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]amine Formula: C26H20F3N5O3S MolecularWeight: 539.52891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=NC=CN=C4C=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=CN=C1NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=NC=CN=C4C=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

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