O1-ethyl O4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C16H20N4O5/c1-2-24-14(22)4-5-15(23)25-12-13(21)19-8-10-20(11-9-19)16-17-6-3-7-18-16/h3-7H,2,8-12H2,1H3/b5-4+