ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[(1-propylimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[(1-propylimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(1-propylimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-oxo-6-[[(1-propyl-2-imidazolyl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(1-propylimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[[(1-propylimidazol-2-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC2=C(C(NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCCN1C=CN=C1SCC2=C(C(NC(=O)N2)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C20H23ClN4O3S/c1-3-10-25-11-9-22-20(25)29-12-15-16(18(26)28-4-2)17(24-19(27)23-15)13-5-7-14(21)8-6-13/h5-9,11,17H,3-4,10,12H2,1-2H3,(H2,23,24,27)