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

Systemtic Name: ethyl (4S)-4-(5-bromanyl-2-butoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(5-bromo-2-butoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(5-bromo-2-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(5-bromo-2-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(5-bromo-2-butoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C2C(=C(NC(=O)N2)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)[C@H]2C(=C(NC(=O)N2)C)C(=O)OCC

InChI

InChI=1S/C18H23BrN2O4/c1-4-6-9-25-14-8-7-12(19)10-13(14)16-15(17(22)24-5-2)11(3)20-18(23)21-16/h7-8,10,16H,4-6,9H2,1-3H3,(H2,20,21,23)/t16-/m0/s1