diethyl 2-[[(5-ethyl-4-oxidanylidene-2-pyridin-4-yl-1H-pyrimidin-6-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(5-ethyl-4-oxidanylidene-2-pyridin-4-yl-1H-pyrimidin-6-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[5-ethyl-4-oxo-2-(4-pyridyl)-1H-pyrimidin-6-yl]amino]methylene]propanedioate CAS Name: 2-[[(5-ethyl-4-oxo-2-pyridin-4-yl-1H-pyrimidin-6-yl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(5-ethyl-4-oxo-2-pyridin-4-yl-1H-pyrimidin-6-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[5-ethyl-4-keto-2-(4-pyridyl)-1H-pyrimidin-6-yl]amino]methylene]malonic acid diethyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)C2=CC=NC=C2)NC=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC1=C(NC(=NC1=O)C2=CC=NC=C2)NC=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C19H22N4O5/c1-4-13-16(21-11-14(18(25)27-5-2)19(26)28-6-3)22-15(23-17(13)24)12-7-9-20-10-8-12/h7-11H,4-6H2,1-3H3,(H2,21,22,23,24)