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

Systemtic Name: diethyl 2-[[(6-chloranyl-5-ethyl-2-pyridin-4-yl-pyrimidin-4-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[6-chloro-5-ethyl-2-(4-pyridyl)pyrimidin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[(6-chloro-5-ethyl-2-pyridin-4-yl-4-pyrimidinyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(6-chloro-5-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[6-chloro-5-ethyl-2-(4-pyridyl)pyrimidin-4-yl]amino]methylene]malonic acid diethyl ester Formula: C19H21ClN4O4 MolecularWeight: 404.84744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1Cl)C2=CC=NC=C2)NC=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC1=C(N=C(N=C1Cl)C2=CC=NC=C2)NC=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C19H21ClN4O4/c1-4-13-15(20)23-16(12-7-9-21-10-8-12)24-17(13)22-11-14(18(25)27-5-2)19(26)28-6-3/h7-11H,4-6H2,1-3H3,(H,22,23,24)