ethyl 6-oxidanylidene-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-6-oxo-1-[2-oxo-2-(1-piperidyl)ethyl]pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-(1-piperidinyl)ethyl]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1-(2-keto-2-piperidino-ethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCCC2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCCC2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-2-28-20(27)17-13-22-21(29-15-16-9-5-3-6-10-16)24(19(17)26)14-18(25)23-11-7-4-8-12-23/h3,5-6,9-10,13H,2,4,7-8,11-12,14-15H2,1H3