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

Systemtic Name: 3,3-dimethylbutan-2-yl 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3-ethyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 1,2,2-trimethylpropyl 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 3,3-dimethylbutan-2-yl ester IUPAC Name: 3,3-dimethylbutan-2-yl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-ethyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid 1,2,2-trimethylpropyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC(C)C(C)(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC(C)C(C)(C)C)C

InChI

InChI=1S/C21H29BrN2O5/c1-8-24-11(2)16(19(26)29-12(3)21(4,5)6)17(23-20(24)27)13-9-14(22)18(25)15(10-13)28-7/h9-10,12,17,25H,8H2,1-7H3,(H,23,27)