4-[(6S)-6-(4-bromophenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoate

Systemtic Name: 4-[(6S)-6-(4-bromophenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoate Openeye Name: 4-[(6S)-6-(4-bromophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoate CAS Name: 4-[(6S)-6-(4-bromophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoate IUPAC Name: 4-[(6S)-6-(4-bromophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoate Traditional Name: 4-[(6S)-6-(4-bromophenyl)-5-carbomethoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]benzoate Formula: C20H16BrN2O5- MolecularWeight: 444.25544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1C2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C20H17BrN2O5/c1-11-16(19(26)28-2)17(12-3-7-14(21)8-4-12)22-20(27)23(11)15-9-5-13(6-10-15)18(24)25/h3-10,17H,1-2H3,(H,22,27)(H,24,25)/p-1/t17-/m0/s1