diethyl 2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate hydrochloride

Systemtic Name: diethyl 2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate hydrochloride Openeye Name: diethyl 2-[[[2-(4-pyridyl)pyrimidin-4-yl]amino]methylene]propanedioate hydrochloride CAS Name: 2-[[(2-pyridin-4-yl-4-pyrimidinyl)amino]methylidene]propanedioic acid diethyl ester hydrochloride IUPAC Name: diethyl 2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate hydrochloride Traditional Name: 2-[[[2-(4-pyridyl)pyrimidin-4-yl]amino]methylene]malonic acid diethyl ester hydrochloride Formula: C17H19ClN4O4 MolecularWeight: 378.81016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NC=C1)C2=CC=NC=C2)C(=O)OCC.Cl

Isomeric SMILES

CCOC(=O)C(=CNC1=NC(=NC=C1)C2=CC=NC=C2)C(=O)OCC.Cl

InChI

InChI=1S/C17H18N4O4.ClH/c1-3-24-16(22)13(17(23)25-4-2)11-20-14-7-10-19-15(21-14)12-5-8-18-9-6-12;/h5-11H,3-4H2,1-2H3,(H,19,20,21);1H