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

Systemtic Name: diethyl 2-[[[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[2-(2-methyl-4-pyrimidinyl)-4-pyrimidinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]amino]methylene]malonic acid diethyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c1-4-25-16(23)12(17(24)26-5-2)10-20-14-7-9-19-15(22-14)13-6-8-18-11(3)21-13/h6-10H,4-5H2,1-3H3,(H,19,20,22)