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

Systemtic Name: ethyl 6-(5-bromanyl-2-methoxy-phenyl)-3-methyl-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(5-bromo-2-methoxy-phenyl)-3-methyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(5-bromo-2-methoxyphenyl)-3-methyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(5-bromo-2-methoxyphenyl)-3-methyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(5-bromo-2-methoxy-phenyl)-2-keto-3-methyl-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4/c1-4-28-20(25)17-18(15-12-14(22)10-11-16(15)27-3)23-21(26)24(2)19(17)13-8-6-5-7-9-13/h5-12,18H,4H2,1-3H3,(H,23,26)