ethyl 6-(5-bromanyl-2-fluoranyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(5-bromanyl-2-fluoranyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-benzyl-6-(5-bromo-2-fluoro-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(5-bromo-2-fluorophenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-6-(5-bromo-2-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-6-(5-bromo-2-fluoro-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20BrFN2O3 MolecularWeight: 447.297503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)Br)F)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)Br)F)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20BrFN2O3/c1-3-28-20(26)18-13(2)25(12-14-7-5-4-6-8-14)21(27)24-19(18)16-11-15(22)9-10-17(16)23/h4-11,19H,3,12H2,1-2H3,(H,24,27)