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

Systemtic Name: tert-butyl 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: tert-butyl 3-benzyl-6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-6-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid tert-butyl ester Formula: C24H27BrN2O5 MolecularWeight: 503.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H27BrN2O5/c1-14-19(22(29)32-24(2,3)4)20(16-11-17(25)21(28)18(12-16)31-5)26-23(30)27(14)13-15-9-7-6-8-10-15/h6-12,20,28H,13H2,1-5H3,(H,26,30)