ethyl (4S,5S,6R)-4-oxidanyl-2-oxidanylidene-6-pyridin-2-yl-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5S,6R)-4-oxidanyl-2-oxidanylidene-6-pyridin-2-yl-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S,6R)-4-hydroxy-2-oxo-6-(2-pyridyl)-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S,6R)-4-hydroxy-2-oxo-6-(2-pyridinyl)-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S,6R)-4-hydroxy-2-oxo-6-pyridin-2-yl-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S,6R)-4-hydroxy-2-keto-6-(2-pyridyl)-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C13H14F3N3O4 MolecularWeight: 333.26317

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=CC=N2

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](NC(=O)N[C@]1(C(F)(F)F)O)C2=CC=CC=N2

InChI

InChI=1S/C13H14F3N3O4/c1-2-23-10(20)8-9(7-5-3-4-6-17-7)18-11(21)19-12(8,22)13(14,15)16/h3-6,8-9,22H,2H2,1H3,(H2,18,19,21)/t8-,9+,12+/m1/s1