diethyl 2-[[[2-(3-methylpyridin-4-yl)pyrimidin-4-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[2-(3-methylpyridin-4-yl)pyrimidin-4-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[2-(3-methyl-4-pyridyl)pyrimidin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[2-(3-methyl-4-pyridinyl)-4-pyrimidinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[2-(3-methylpyridin-4-yl)pyrimidin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[2-(3-methyl-4-pyridyl)pyrimidin-4-yl]amino]methylene]malonic acid diethyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NC=C1)C2=C(C=NC=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC(=NC=C1)C2=C(C=NC=C2)C)C(=O)OCC

InChI

InChI=1S/C18H20N4O4/c1-4-25-17(23)14(18(24)26-5-2)11-21-15-7-9-20-16(22-15)13-6-8-19-10-12(13)3/h6-11H,4-5H2,1-3H3,(H,20,21,22)