ethyl 2-methylsulfanyl-6-oxidanylidene-1-[2-oxidanylidene-2-(phenethylamino)ethyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-6-oxidanylidene-1-[2-oxidanylidene-2-(phenethylamino)ethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-6-oxo-1-[2-oxo-2-(phenethylamino)ethyl]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-6-oxo-1-[2-oxo-2-(phenethylamino)ethyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-6-oxo-1-[2-oxo-2-(phenethylamino)ethyl]pyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(phenethylamino)ethyl]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCCC2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCCC2=CC=CC=C2)SC

InChI

InChI=1S/C18H21N3O4S/c1-3-25-17(24)14-11-20-18(26-2)21(16(14)23)12-15(22)19-10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,22)