benzenesulfonic acid; 5-methyl-2-(2-methylpyrrolidin-1-yl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 5-methyl-2-(2-methylpyrrolidin-1-yl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-methyl-2-(2-methylpyrrolidin-1-yl)-6-(7-quinolyl)-N-[5-(trifluoromethyl)-2-pyridyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methyl-2-(2-methyl-1-pyrrolidinyl)-6-(7-quinolinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methyl-2-(2-methylpyrrolidin-1-yl)-6-quinolin-7-yl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Traditional Name: besylic acid; [5-methyl-2-(2-methylpyrrolidino)-6-(7-quinolyl)pyrimidin-4-yl]-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C31H29F3N6O3S MolecularWeight: 622.66057

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C2=NC(=C(C(=N2)NC3=NC=C(C=C3)C(F)(F)F)C)C4=CC5=C(C=CC=N5)C=C4.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1CCCN1C2=NC(=C(C(=N2)NC3=NC=C(C=C3)C(F)(F)F)C)C4=CC5=C(C=CC=N5)C=C4.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C25H23F3N6.C6H6O3S/c1-15-5-4-12-34(15)24-32-22(18-8-7-17-6-3-11-29-20(17)13-18)16(2)23(33-24)31-21-10-9-19(14-30-21)25(26,27)28;7-10(8,9)6-4-2-1-3-5-6/h3,6-11,13-15H,4-5,12H2,1-2H3,(H,30,31,32,33);1-5H,(H,7,8,9)