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

Systemtic Name: ethyl 2-methylsulfanyl-6-oxidanylidene-1-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-6-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-6-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-6-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrimidine-5-carboxylate Traditional Name: 6-keto-1-[2-keto-2-(1-phenylethylamino)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)NC(C)C2=CC=CC=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-4-25-17(24)14-10-19-18(26-3)21(16(14)23)11-15(22)20-12(2)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,20,22)