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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C(=C2)Br)O)OC)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C(=C2)Br)O)OC)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H23BrN2O5/c1-4-30-21(27)18-13(2)25(12-14-8-6-5-7-9-14)22(28)24-19(18)15-10-16(23)20(26)17(11-15)29-3/h5-11,19,26H,4,12H2,1-3H3,(H,24,28)