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

Systemtic Name: (phenylmethyl) 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O5/c1-12-17(20(26)29-11-13-7-5-4-6-8-13)18(23-21(27)24(12)2)14-9-15(22)19(25)16(10-14)28-3/h4-10,18,25H,11H2,1-3H3,(H,23,27)