diethyl 2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanedioate

Systemtic Name: diethyl 2-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanedioate CAS Name: 2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanedioate Traditional Name: 2-[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]malonic acid diethyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C13H18N2O5S/c1-4-8-7-9(16)15-13(14-8)21-10(11(17)19-5-2)12(18)20-6-3/h7,10H,4-6H2,1-3H3,(H,14,15,16)