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

Systemtic Name: ethyl 6-oxidanylidene-1-[2-oxidanylidene-2-(phenethylamino)ethyl]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-6-oxo-1-[2-oxo-2-(phenethylamino)ethyl]pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-(phenethylamino)ethyl]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-oxo-1-[2-oxo-2-(phenethylamino)ethyl]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1-[2-keto-2-(phenethylamino)ethyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NCCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S/c1-2-31-23(30)20-15-26-24(32-17-19-11-7-4-8-12-19)27(22(20)29)16-21(28)25-14-13-18-9-5-3-6-10-18/h3-12,15H,2,13-14,16-17H2,1H3,(H,25,28)