ethyl (4S)-4-[5-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-[5-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[5-bromo-2-(2-ethoxy-2-oxo-ethoxy)phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[5-bromo-2-(2-ethoxy-2-keto-ethoxy)phenyl]-2-keto-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25BrN2O6 MolecularWeight: 469.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=O)N1)C2=C(C=CC(=C2)Br)OCC(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@@H](NC(=O)N1)C2=C(C=CC(=C2)Br)OCC(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H25BrN2O6/c1-4-7-14-17(19(25)28-6-3)18(23-20(26)22-14)13-10-12(21)8-9-15(13)29-11-16(24)27-5-2/h8-10,18H,4-7,11H2,1-3H3,(H2,22,23,26)/t18-/m0/s1