diethyl 2-[[ethyl-(2-piperazin-1-ylpyrimidin-4-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[ethyl-(2-piperazin-1-ylpyrimidin-4-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[ethyl-(2-piperazin-1-ylpyrimidin-4-yl)amino]methylene]propanedioate CAS Name: 2-[[ethyl-[2-(1-piperazinyl)-4-pyrimidinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[ethyl-(2-piperazin-1-ylpyrimidin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[ethyl-(2-piperazinopyrimidin-4-yl)amino]methylene]malonic acid diethyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C=C(C(=O)OCC)C(=O)OCC)C1=NC(=NC=C1)N2CCNCC2

Isomeric SMILES

CCN(C=C(C(=O)OCC)C(=O)OCC)C1=NC(=NC=C1)N2CCNCC2

InChI

InChI=1S/C18H27N5O4/c1-4-22(13-14(16(24)26-5-2)17(25)27-6-3)15-7-8-20-18(21-15)23-11-9-19-10-12-23/h7-8,13,19H,4-6,9-12H2,1-3H3