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

Systemtic Name: methyl 4-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-benzoxy-3-bromo-5-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl 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)OCC3=CC=CC=C3)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C(=O)OC

InChI

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