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

Systemtic Name: ethyl 1-[2-(diethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[2-(diethylamino)-2-oxo-ethyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[2-(diethylamino)-2-oxoethyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[2-(diethylamino)-2-oxoethyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-[2-(diethylamino)-2-keto-ethyl]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C(=O)C(=CN=C1SCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)CN1C(=O)C(=CN=C1SCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H25N3O4S/c1-4-22(5-2)17(24)13-23-18(25)16(19(26)27-6-3)12-21-20(23)28-14-15-10-8-7-9-11-15/h7-12H,4-6,13-14H2,1-3H3