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

Systemtic Name: methyl 6-(3-bromanyl-4-fluoranyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-benzyl-6-(3-bromo-4-fluoro-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-4-fluorophenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-6-(3-bromo-4-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-6-(3-bromo-4-fluoro-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18BrFN2O3 MolecularWeight: 433.270923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C=C3)F)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C=C3)F)Br)C(=O)OC

InChI

InChI=1S/C20H18BrFN2O3/c1-12-17(19(25)27-2)18(14-8-9-16(22)15(21)10-14)23-20(26)24(12)11-13-6-4-3-5-7-13/h3-10,18H,11H2,1-2H3,(H,23,26)