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

Systemtic Name: phenethyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O5/c1-12-17(20(26)29-9-8-13-6-4-3-5-7-13)18(24-21(27)23-12)14-10-15(22)19(25)16(11-14)28-2/h3-7,10-11,18,25H,8-9H2,1-2H3,(H2,23,24,27)