diethyl 6-(3-bromophenyl)-3-(4-chlorophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-4,5-dicarboxylate

Systemtic Name: diethyl 6-(3-bromophenyl)-3-(4-chlorophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-4,5-dicarboxylate Openeye Name: diethyl 6-(3-bromophenyl)-3-(4-chlorophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylate CAS Name: 6-(3-bromophenyl)-3-(4-chlorophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-(3-bromophenyl)-3-(4-chlorophenyl)-2-oxo-1,6-dihydropyrimidine-4,5-dicarboxylate Traditional Name: 6-(3-bromophenyl)-3-(4-chlorophenyl)-2-keto-1,6-dihydropyrimidine-4,5-dicarboxylic acid diethyl ester Formula: C22H20BrClN2O5 MolecularWeight: 507.7616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C22H20BrClN2O5/c1-3-30-20(27)17-18(13-6-5-7-14(23)12-13)25-22(29)26(19(17)21(28)31-4-2)16-10-8-15(24)9-11-16/h5-12,18H,3-4H2,1-2H3,(H,25,29)