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

Systemtic Name: ethyl (4S)-4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-ethoxy-phenyl]-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-ethoxy-phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[4-(2-amino-2-keto-ethoxy)-3-chloro-5-ethoxy-phenyl]-2-keto-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H26ClN3O6 MolecularWeight: 439.88994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)OCC(=O)N)OCC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O6/c1-4-7-13-16(19(26)29-6-3)17(24-20(27)23-13)11-8-12(21)18(30-10-15(22)25)14(9-11)28-5-2/h8-9,17H,4-7,10H2,1-3H3,(H2,22,25)(H2,23,24,27)/t17-/m0/s1