diethyl 2-[[[2-(4-ethanoylpiperazin-1-yl)pyrimidin-4-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[2-(4-ethanoylpiperazin-1-yl)pyrimidin-4-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[2-(4-acetyl-1-piperazinyl)-4-pyrimidinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[2-(4-acetylpiperazino)pyrimidin-4-yl]amino]methylene]malonic acid diethyl ester Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NC=C1)N2CCN(CC2)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC(=NC=C1)N2CCN(CC2)C(=O)C)C(=O)OCC

InChI

InChI=1S/C18H25N5O5/c1-4-27-16(25)14(17(26)28-5-2)12-20-15-6-7-19-18(21-15)23-10-8-22(9-11-23)13(3)24/h6-7,12H,4-5,8-11H2,1-3H3,(H,19,20,21)