diethyl 2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanedioate

Systemtic Name: diethyl 2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanedioate CAS Name: 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanedioate Traditional Name: 2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]malonic acid diethyl ester Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC(C(=O)OCC)C(=O)OCC)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC(C(=O)OCC)C(=O)OCC)C

InChI

InChI=1S/C14H20N2O5S/c1-5-9-8(4)15-14(16-11(9)17)22-10(12(18)20-6-2)13(19)21-7-3/h10H,5-7H2,1-4H3,(H,15,16,17)