diethyl 2-[[(2-methylsulfanyl-6-oxidanylidene-1H-pyrimidin-5-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(2-methylsulfanyl-6-oxidanylidene-1H-pyrimidin-5-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)amino]methylene]propanedioate CAS Name: 2-[[[2-(methylthio)-6-oxo-1H-pyrimidin-5-yl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[6-keto-2-(methylthio)-1H-pyrimidin-5-yl]amino]methylene]malonic acid diethyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CN=C(NC1=O)SC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CN=C(NC1=O)SC)C(=O)OCC

InChI

InChI=1S/C13H17N3O5S/c1-4-20-11(18)8(12(19)21-5-2)6-14-9-7-15-13(22-3)16-10(9)17/h6-7,14H,4-5H2,1-3H3,(H,15,16,17)