benzenesulfonic acid; 2-(benzimidazol-1-ylmethyl)-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 2-(benzimidazol-1-ylmethyl)-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 2-(benzimidazol-1-ylmethyl)-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 2-(1-benzimidazolylmethyl)-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 2-(benzimidazol-1-ylmethyl)-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [2-(benzimidazol-1-ylmethyl)-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine; besylic acid Formula: C34H25F3N6O3S MolecularWeight: 654.66091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)N=CN2CC3=NC(=CC(=N3)NC4=CC=C(C=C4)C(F)(F)F)C5=CC6=C(C=CC=N6)C=C5

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)N=CN2CC3=NC(=CC(=N3)NC4=CC=C(C=C4)C(F)(F)F)C5=CC6=C(C=CC=N6)C=C5

InChI

InChI=1S/C28H19F3N6.C6H6O3S/c29-28(30,31)20-9-11-21(12-10-20)34-26-15-24(19-8-7-18-4-3-13-32-23(18)14-19)35-27(36-26)16-37-17-33-22-5-1-2-6-25(22)37;7-10(8,9)6-4-2-1-3-5-6/h1-15,17H,16H2,(H,34,35,36);1-5H,(H,7,8,9)