benzenesulfonic acid; 2-morpholin-4-yl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 2-morpholin-4-yl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 2-morpholino-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 2-(4-morpholinyl)-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 2-morpholin-4-yl-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [2-morpholino-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C30H26F3N5O4S MolecularWeight: 609.61875

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=CC(=N2)NC3=CC=C(C=C3)C(F)(F)F)C4=CC5=C(C=CC=N5)C=C4.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1COCCN1C2=NC(=CC(=N2)NC3=CC=C(C=C3)C(F)(F)F)C4=CC5=C(C=CC=N5)C=C4.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H20F3N5O.C6H6O3S/c25-24(26,27)18-5-7-19(8-6-18)29-22-15-21(30-23(31-22)32-10-12-33-13-11-32)17-4-3-16-2-1-9-28-20(16)14-17;7-10(8,9)6-4-2-1-3-5-6/h1-9,14-15H,10-13H2,(H,29,30,31);1-5H,(H,7,8,9)