ethyl 4-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)CC(=O)OCC)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)CC(=O)OCC)C

InChI

InChI=1S/C13H18N2O4S/c1-4-10-8(3)14-13(15-12(10)18)20-7-9(16)6-11(17)19-5-2/h4-7H2,1-3H3,(H,14,15,18)