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

Systemtic Name: 2-phenoxyethyl (4S)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-phenoxyethyl (4S)-4-(2-bromo-4,5-dimethoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-bromo-4,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S)-4-(2-bromo-4,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-bromo-4,5-dimethoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-phenoxyethyl ester Formula: C22H23BrN2O6 MolecularWeight: 491.33182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2Br)OC)OC)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC(=C(C=C2Br)OC)OC)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C22H23BrN2O6/c1-13-19(21(26)31-10-9-30-14-7-5-4-6-8-14)20(25-22(27)24-13)15-11-17(28-2)18(29-3)12-16(15)23/h4-8,11-12,20H,9-10H2,1-3H3,(H2,24,25,27)/t20-/m1/s1