bis(2-methylpropyl) 2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate

Systemtic Name: bis(2-methylpropyl) 2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate Openeye Name: diisobutyl 2-[[[2-(4-pyridyl)pyrimidin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[(2-pyridin-4-yl-4-pyrimidinyl)amino]methylidene]propanedioic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[2-(4-pyridyl)pyrimidin-4-yl]amino]methylene]malonic acid diisobutyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(=CNC1=NC(=NC=C1)C2=CC=NC=C2)C(=O)OCC(C)C

Isomeric SMILES

CC(C)COC(=O)C(=CNC1=NC(=NC=C1)C2=CC=NC=C2)C(=O)OCC(C)C

InChI

InChI=1S/C21H26N4O4/c1-14(2)12-28-20(26)17(21(27)29-13-15(3)4)11-24-18-7-10-23-19(25-18)16-5-8-22-9-6-16/h5-11,14-15H,12-13H2,1-4H3,(H,23,24,25)