ethyl 1-[2-(diethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-(diethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-(diethylamino)-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-(diethylamino)-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(diethylamino)-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-(diethylamino)-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C(=O)C(=CN=C1SCCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)CN1C(=O)C(=CN=C1SCCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H27N3O4S/c1-4-23(5-2)18(25)15-24-19(26)17(20(27)28-6-3)14-22-21(24)29-13-12-16-10-8-7-9-11-16/h7-11,14H,4-6,12-13,15H2,1-3H3