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

Systemtic Name: ethyl (4S)-4-(4-ethoxy-3-iodanyl-5-methoxy-phenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-ethoxy-3-iodo-5-methoxy-phenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-ethoxy-3-iodo-5-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-ethoxy-3-iodo-5-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-ethoxy-3-iodo-5-methoxy-phenyl)-2-keto-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H25IN2O5 MolecularWeight: 488.31667

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)I)OCC)OC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H25IN2O5/c1-5-8-13-15(18(23)27-7-3)16(22-19(24)21-13)11-9-12(20)17(26-6-2)14(10-11)25-4/h9-10,16H,5-8H2,1-4H3,(H2,21,22,24)/t16-/m0/s1