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

Systemtic Name: 6-(5-bromanyl-2-fluoranyl-phenyl)-5-butanoyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-3-carboxylate Openeye Name: 6-(5-bromo-2-fluoro-phenyl)-5-butanoyl-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxylate CAS Name: 6-(5-bromo-2-fluorophenyl)-4-methyl-2-oxo-5-(1-oxobutyl)-1,6-dihydropyrimidine-3-carboxylate IUPAC Name: 6-(5-bromo-2-fluorophenyl)-5-butanoyl-4-methyl-2-oxo-1,6-dihydropyrimidine-3-carboxylate Traditional Name: 6-(5-bromo-2-fluoro-phenyl)-5-butyryl-2-keto-4-methyl-1,6-dihydropyrimidine-3-carboxylate Formula: C16H15BrFN2O4- MolecularWeight: 398.203703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)Br)F)C(=O)[O-])C

Isomeric SMILES

CCCC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)Br)F)C(=O)[O-])C

InChI

InChI=1S/C16H16BrFN2O4/c1-3-4-12(21)13-8(2)20(16(23)24)15(22)19-14(13)10-7-9(17)5-6-11(10)18/h5-7,14H,3-4H2,1-2H3,(H,19,22)(H,23,24)/p-1