[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-piperidinecarboxylic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]isonipecotic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C19H20F3N7O4 MolecularWeight: 467.40181

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

InChI

InChI=1S/C19H20F3N7O4/c1-26-12(9-15(30)27(2)18(26)32)10-33-16(31)11-5-7-28(8-6-11)14-4-3-13-23-24-17(19(20,21)22)29(13)25-14/h3-4,9,11H,5-8,10H2,1-2H3