ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-morpholino-2-oxo-ethyl)-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-1-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyrimidine-5-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-6-keto-1-(2-keto-2-morpholino-ethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCOCC2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCOCC2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-2-29-19(27)15-11-22-20(30-13-14-5-3-4-6-16(14)21)24(18(15)26)12-17(25)23-7-9-28-10-8-23/h3-6,11H,2,7-10,12-13H2,1H3