ethyl 6-[(2-bromanyl-4-fluoranyl-phenyl)carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(2-bromanyl-4-fluoranyl-phenyl)carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(2-bromo-4-fluoro-benzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(2-bromo-4-fluorophenyl)-oxomethoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-bromo-4-fluorobenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(2-bromo-4-fluoro-benzoyl)oxymethyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18BrFN2O5 MolecularWeight: 477.280423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3=C(C=C(C=C3)F)Br

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C21H18BrFN2O5/c1-2-29-20(27)17-16(11-30-19(26)14-9-8-13(23)10-15(14)22)24-21(28)25-18(17)12-6-4-3-5-7-12/h3-10,18H,2,11H2,1H3,(H2,24,25,28)