(4-methylphenyl)methyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (4-methylphenyl)methyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: p-tolylmethyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methylbenzyl) ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=C(C(=C3)Br)O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=C(C(=C3)Br)O)OC)C

InChI

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