diethyl 2-[[(6-acetamido-2-methylsulfanyl-pyrimidin-4-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(6-acetamido-2-methylsulfanyl-pyrimidin-4-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(6-acetamido-2-methylsulfanyl-pyrimidin-4-yl)amino]methylene]propanedioate CAS Name: 2-[[[6-acetamido-2-(methylthio)-4-pyrimidinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(6-acetamido-2-methylsulfanylpyrimidin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[6-acetamido-2-(methylthio)pyrimidin-4-yl]amino]methylene]malonic acid diethyl ester Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=NC(=N1)SC)NC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC(=NC(=N1)SC)NC(=O)C)C(=O)OCC

InChI

InChI=1S/C15H20N4O5S/c1-5-23-13(21)10(14(22)24-6-2)8-16-11-7-12(17-9(3)20)19-15(18-11)25-4/h7-8H,5-6H2,1-4H3,(H2,16,17,18,19,20)