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

Systemtic Name: methyl 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-3-phenethyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-methyl-2-oxo-3-phenethyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-3-phenethyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-3-phenethyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-4-methyl-3-phenethyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCC2=CC=CC=C2)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CCC2=CC=CC=C2)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC

InChI

InChI=1S/C22H23BrN2O5/c1-13-18(21(27)30-3)19(15-11-16(23)20(26)17(12-15)29-2)24-22(28)25(13)10-9-14-7-5-4-6-8-14/h4-8,11-12,19,26H,9-10H2,1-3H3,(H,24,28)