[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C19H15F3N4O5 MolecularWeight: 436.34141

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2)C(F)(F)F)OC

InChI

InChI=1S/C19H15F3N4O5/c1-29-14-7-15(30-2)26-18(25-14)24-13(27)9-31-17(28)11-8-23-12-6-4-3-5-10(12)16(11)19(20,21)22/h3-8H,9H2,1-2H3,(H,24,25,26,27)