3-bromanylpropyl (4S)-6-methyl-2-oxidanylidene-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-bromanylpropyl (4S)-6-methyl-2-oxidanylidene-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-bromopropyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-bromopropyl ester IUPAC Name: 3-bromopropyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-bromopropyl ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)OCCCBr

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H]2C(=C(NC(=O)N2)C)C(=O)OCCCBr

InChI

InChI=1S/C18H23BrN2O4/c1-3-10-24-14-8-5-4-7-13(14)16-15(12(2)20-18(23)21-16)17(22)25-11-6-9-19/h4-5,7-8,16H,3,6,9-11H2,1-2H3,(H2,20,21,23)/t16-/m0/s1