ethyl (4S,5S)-4-(4-fluorophenyl)-2-morpholin-4-yl-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(4-fluorophenyl)-2-morpholin-4-yl-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(4-fluorophenyl)-2-morpholino-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(4-fluorophenyl)-2-(4-morpholinyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(4-fluorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-4-(4-fluorophenyl)-6-keto-2-morpholino-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20FN3O4 MolecularWeight: 349.356803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCOCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N=C(NC1=O)N2CCOCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3O4/c1-2-25-16(23)13-14(11-3-5-12(18)6-4-11)19-17(20-15(13)22)21-7-9-24-10-8-21/h3-6,13-14H,2,7-10H2,1H3,(H,19,20,22)/t13-,14+/m0/s1