methyl 6-(5-bromanyl-2-phenylmethoxy-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(5-bromanyl-2-phenylmethoxy-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(2-benzyloxy-5-bromo-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(5-bromo-2-phenylmethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(5-bromo-2-phenylmethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-benzoxy-5-bromo-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4/c1-13-18(20(25)27-3)19(23-21(26)24(13)2)16-11-15(22)9-10-17(16)28-12-14-7-5-4-6-8-14/h4-11,19H,12H2,1-3H3,(H,23,26)