diethyl 2-[[(5-cyano-2-pyridin-4-yl-pyrimidin-4-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(5-cyano-2-pyridin-4-yl-pyrimidin-4-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[5-cyano-2-(4-pyridyl)pyrimidin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[(5-cyano-2-pyridin-4-yl-4-pyrimidinyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(5-cyano-2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[5-cyano-2-(4-pyridyl)pyrimidin-4-yl]amino]methylene]malonic acid diethyl ester Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NC=C1C#N)C2=CC=NC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC(=NC=C1C#N)C2=CC=NC=C2)C(=O)OCC

InChI

InChI=1S/C18H17N5O4/c1-3-26-17(24)14(18(25)27-4-2)11-22-16-13(9-19)10-21-15(23-16)12-5-7-20-8-6-12/h5-8,10-11H,3-4H2,1-2H3,(H,21,22,23)