2-methoxyethyl (6S)-6-(3-bromanyl-4-fluoranyl-phenyl)-3-cyclopropyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (6S)-6-(3-bromanyl-4-fluoranyl-phenyl)-3-cyclopropyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-6-(3-bromo-4-fluoro-phenyl)-3-cyclopropyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(3-bromo-4-fluorophenyl)-3-cyclopropyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-6-(3-bromo-4-fluorophenyl)-3-cyclopropyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(3-bromo-4-fluoro-phenyl)-3-cyclopropyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C18H20BrFN2O4 MolecularWeight: 427.264803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2CC2)C3=CC(=C(C=C3)F)Br)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1C2CC2)C3=CC(=C(C=C3)F)Br)C(=O)OCCOC

InChI

InChI=1S/C18H20BrFN2O4/c1-10-15(17(23)26-8-7-25-2)16(11-3-6-14(20)13(19)9-11)21-18(24)22(10)12-4-5-12/h3,6,9,12,16H,4-5,7-8H2,1-2H3,(H,21,24)/t16-/m0/s1