ethyl (4S)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2-bromo-4,5-dimethoxy-phenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-bromo-4,5-dimethoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2-bromo-4,5-dimethoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-bromo-4,5-dimethoxy-phenyl)-2-keto-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2Br)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=C(C=C2Br)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O5/c1-4-29-20(25)17-18(12-8-6-5-7-9-12)23-21(26)24-19(17)13-10-15(27-2)16(28-3)11-14(13)22/h5-11,19H,4H2,1-3H3,(H2,23,24,26)/t19-/m1/s1