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

Systemtic Name: ethyl (4S)-4-[3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]-2-keto-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22BrN3O5 MolecularWeight: 452.29908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O5/c1-4-6-13-15(18(24)27-5-2)16(23-19(25)22-13)11-9-12(20)17(28-8-7-21)14(10-11)26-3/h9-10,16H,4-6,8H2,1-3H3,(H2,22,23,25)/t16-/m0/s1