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

Systemtic Name: ethyl 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-3-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-methyl-2-oxo-3-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-3-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-3-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-4-methyl-3-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O5/c1-4-29-20(26)17-12(2)24(14-8-6-5-7-9-14)21(27)23-18(17)13-10-15(22)19(25)16(11-13)28-3/h5-11,18,25H,4H2,1-3H3,(H,23,27)