ethyl 1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-(2-morpholino-2-oxo-ethyl)-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 6-keto-1-(2-keto-2-morpholino-ethyl)-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCOCC2)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCOCC2)SCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-2-29-20(27)17-14-22-21(30-13-8-16-6-4-3-5-7-16)24(19(17)26)15-18(25)23-9-11-28-12-10-23/h3-7,14H,2,8-13,15H2,1H3