[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-thiophen-2-ylpropanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-thiophen-2-ylpropanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CCC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CCC3=CC=CS3

InChI

InChI=1S/C17H20N4O3S/c22-15(13-24-16(23)5-4-14-3-1-12-25-14)20-8-10-21(11-9-20)17-18-6-2-7-19-17/h1-3,6-7,12H,4-5,8-11,13H2