benzenesulfonic acid; 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-methyl-6-(7-quinolyl)-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methyl-6-(7-quinolinyl)-N-[6-(trifluoromethyl)-3-pyridazinyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methyl-6-quinolin-7-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]pyrimidin-4-amine Traditional Name: besylic acid; [5-methyl-6-(7-quinolyl)pyrimidin-4-yl]-[6-(trifluoromethyl)pyridazin-3-yl]amine Formula: C25H19F3N6O3S MolecularWeight: 540.51697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1NC2=NN=C(C=C2)C(F)(F)F)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=CN=C1NC2=NN=C(C=C2)C(F)(F)F)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H13F3N6.C6H6O3S/c1-11-17(13-5-4-12-3-2-8-23-14(12)9-13)24-10-25-18(11)26-16-7-6-15(27-28-16)19(20,21)22;7-10(8,9)6-4-2-1-3-5-6/h2-10H,1H3,(H,24,25,26,28);1-5H,(H,7,8,9)