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

Systemtic Name: benzenesulfonic acid; 2-(cyclopropylmethoxy)-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 2-(cyclopropylmethoxy)-6-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 2-(cyclopropylmethoxy)-6-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 2-(cyclopropylmethoxy)-6-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [2-(cyclopropylmethoxy)-6-(7-quinolyl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C30H25F3N4O4S MolecularWeight: 594.60411

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=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

C1CC1COC2=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/C24H19F3N4O.C6H6O3S/c25-24(26,27)18-7-9-19(10-8-18)29-22-13-21(30-23(31-22)32-14-15-3-4-15)17-6-5-16-2-1-11-28-20(16)12-17;7-10(8,9)6-4-2-1-3-5-6/h1-2,5-13,15H,3-4,14H2,(H,29,30,31);1-5H,(H,7,8,9)