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

Systemtic Name: diethyl 2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanedioate CAS Name: 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanedioate Traditional Name: 2-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]malonic acid diethyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=O)C(=C(N1)C)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=O)C(=C(N1)C)C

InChI

InChI=1S/C13H18N2O5S/c1-5-19-11(17)9(12(18)20-6-2)21-13-14-8(4)7(3)10(16)15-13/h9H,5-6H2,1-4H3,(H,14,15,16)