dibutyl 2-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methylidene]propanedioate

Systemtic Name: dibutyl 2-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methylidene]propanedioate Openeye Name: dibutyl 2-[[[2-(3-pyridyl)pyrimidin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[2-(3-pyridinyl)-4-pyrimidinyl]amino]methylidene]propanedioic acid dibutyl ester IUPAC Name: dibutyl 2-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[2-(3-pyridyl)pyrimidin-4-yl]amino]methylene]malonic acid dibutyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CNC1=NC(=NC=C1)C2=CN=CC=C2)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C(=CNC1=NC(=NC=C1)C2=CN=CC=C2)C(=O)OCCCC

InChI

InChI=1S/C21H26N4O4/c1-3-5-12-28-20(26)17(21(27)29-13-6-4-2)15-24-18-9-11-23-19(25-18)16-8-7-10-22-14-16/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,23,24,25)