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

Systemtic Name: tert-butyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C18H23BrN2O5 MolecularWeight: 427.28962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OC(C)(C)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OC(C)(C)C)Br)O

InChI

InChI=1S/C18H23BrN2O5/c1-6-25-12-8-10(7-11(19)15(12)22)14-13(9(2)20-17(24)21-14)16(23)26-18(3,4)5/h7-8,14,22H,6H2,1-5H3,(H2,20,21,24)