benzenesulfonic acid; 6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 6-(8-ethyl-7-quinolyl)-N-[5-(trifluoromethyl)-2-pyridyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 6-(8-ethyl-7-quinolinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 6-(8-ethylquinolin-7-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine Traditional Name: besylic acid; [6-(8-ethyl-7-quinolyl)pyrimidin-4-yl]-[5-(trifluoromethyl)-2-pyridyl]amine Formula: C27H22F3N5O3S MolecularWeight: 553.55549

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1N=CC=C2)C3=CC(=NC=N3)NC4=NC=C(C=C4)C(F)(F)F.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C=CC2=C1N=CC=C2)C3=CC(=NC=N3)NC4=NC=C(C=C4)C(F)(F)F.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H16F3N5.C6H6O3S/c1-2-15-16(7-5-13-4-3-9-25-20(13)15)17-10-19(28-12-27-17)29-18-8-6-14(11-26-18)21(22,23)24;7-10(8,9)6-4-2-1-3-5-6/h3-12H,2H2,1H3,(H,26,27,28,29);1-5H,(H,7,8,9)