tert-butyl 4-[5-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 4-[5-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 4-[5-bromo-2-(2-ethoxy-2-oxo-ethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[5-bromo-2-(2-ethoxy-2-keto-ethoxy)phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C20H25BrN2O6 MolecularWeight: 469.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)C2C(=C(NC(=O)N2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)C2C(=C(NC(=O)N2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25BrN2O6/c1-6-27-15(24)10-28-14-8-7-12(21)9-13(14)17-16(11(2)22-19(26)23-17)18(25)29-20(3,4)5/h7-9,17H,6,10H2,1-5H3,(H2,22,23,26)