diethyl 2-[[(4-oxidanylidene-2-pyridin-4-yl-1H-pyrimidin-6-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(4-oxidanylidene-2-pyridin-4-yl-1H-pyrimidin-6-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[4-oxo-2-(4-pyridyl)-1H-pyrimidin-6-yl]amino]methylene]propanedioate CAS Name: 2-[[(4-oxo-2-pyridin-4-yl-1H-pyrimidin-6-yl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(4-oxo-2-pyridin-4-yl-1H-pyrimidin-6-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[4-keto-2-(4-pyridyl)-1H-pyrimidin-6-yl]amino]methylene]malonic acid diethyl ester Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=O)N=C(N1)C2=CC=NC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC(=O)N=C(N1)C2=CC=NC=C2)C(=O)OCC

InChI

InChI=1S/C17H18N4O5/c1-3-25-16(23)12(17(24)26-4-2)10-19-13-9-14(22)21-15(20-13)11-5-7-18-8-6-11/h5-10H,3-4H2,1-2H3,(H2,19,20,21,22)