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

Systemtic Name: tert-butyl 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: tert-butyl 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(2-ethoxy-2-oxo-ethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-ethoxy-2-oxoethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-ethoxy-2-oxoethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(2-ethoxy-2-keto-ethyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid tert-butyl ester Formula: C21H27BrN2O7 MolecularWeight: 499.35228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(NC1=O)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C(NC1=O)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H27BrN2O7/c1-7-30-15(25)10-24-11(2)16(19(27)31-21(3,4)5)17(23-20(24)28)12-8-13(22)18(26)14(9-12)29-6/h8-9,17,26H,7,10H2,1-6H3,(H,23,28)