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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C14H20N2O5S/c1-4-7-9-8-10(17)16-14(15-9)22-11(12(18)20-5-2)13(19)21-6-3/h8,11H,4-7H2,1-3H3,(H,15,16,17)