diethyl 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]propanedioate

Systemtic Name: diethyl 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]propanedioate Openeye Name: diethyl 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]propanedioate CAS Name: 2-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]propanedioate Traditional Name: 2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]malonic acid diethyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CCC1=C(N=C(N=C1C)SC)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CCC1=C(N=C(N=C1C)SC)C

InChI

InChI=1S/C17H25N3O5S/c1-6-24-15(22)14(16(23)25-7-2)20-13(21)9-8-12-10(3)18-17(26-5)19-11(12)4/h14H,6-9H2,1-5H3,(H,20,21)