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

Systemtic Name: benzenesulfonic acid; 5-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-methoxy-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methoxy-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methoxy-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [5-methoxy-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C27H21F3N4O4S MolecularWeight: 554.54025

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CN=C1NC2=CC=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

COC1=C(N=CN=C1NC2=CC=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/C21H15F3N4O.C6H6O3S/c1-29-19-18(14-5-4-13-3-2-10-25-17(13)11-14)26-12-27-20(19)28-16-8-6-15(7-9-16)21(22,23)24;7-10(8,9)6-4-2-1-3-5-6/h2-12H,1H3,(H,26,27,28);1-5H,(H,7,8,9)