ethyl 6-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 6-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-hydroxy-6-(4-morpholinophenyl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: 4-hydroxy-6-[4-(4-morpholinyl)phenyl]-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-6-(4-morpholin-4-ylphenyl)-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: 4-hydroxy-2-keto-6-(4-morpholinophenyl)-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H22F3N3O5 MolecularWeight: 417.37959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C18H22F3N3O5/c1-2-29-15(25)13-14(22-16(26)23-17(13,27)18(19,20)21)11-3-5-12(6-4-11)24-7-9-28-10-8-24/h3-6,13-14,27H,2,7-10H2,1H3,(H2,22,23,26)