7-(4-chlorophenyl)-8-(2-methoxypyrimidin-5-yl)-5-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-2H-[1,2,4]triazolo[4,3-b]pyridazine-3,6-dione

Systemtic Name: 7-(4-chlorophenyl)-8-(2-methoxypyrimidin-5-yl)-5-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-2H-[1,2,4]triazolo[4,3-b]pyridazine-3,6-dione Openeye Name: 7-(4-chlorophenyl)-8-(2-methoxypyrimidin-5-yl)-5-[[6-(trifluoromethyl)-3-pyridyl]methyl]-2H-[1,2,4]triazolo[4,3-b]pyridazine-3,6-dione CAS Name: 7-(4-chlorophenyl)-8-(2-methoxy-5-pyrimidinyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2H-[1,2,4]triazolo[4,3-b]pyridazine-3,6-dione IUPAC Name: 7-(4-chlorophenyl)-8-(2-methoxypyrimidin-5-yl)-5-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-2H-[1,2,4]triazolo[4,3-b]pyridazine-3,6-dione Traditional Name: 7-(4-chlorophenyl)-8-(2-methoxypyrimidin-5-yl)-5-[[6-(trifluoromethyl)-3-pyridyl]methyl]-2H-[1,2,4]triazolo[4,3-b]pyridazine-3,6-quinone Formula: C23H15ClF3N7O3 MolecularWeight: 529.85851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C2=C(C(=O)N(N3C2=NNC3=O)CC4=CN=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=NC=C(C=N1)C2=C(C(=O)N(N3C2=NNC3=O)CC4=CN=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H15ClF3N7O3/c1-37-21-29-9-14(10-30-21)17-18(13-3-5-15(24)6-4-13)20(35)33(34-19(17)31-32-22(34)36)11-12-2-7-16(28-8-12)23(25,26)27/h2-10H,11H2,1H3,(H,32,36)