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

Systemtic Name: ethyl 6-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 6-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 6-keto-1-(2-keto-2-pyrrolidino-ethyl)-2-(phenethylthio)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)N2CCCC2)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N2CCCC2)SCCC3=CC=CC=C3

InChI

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