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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic 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-3-ylpropanoate Traditional Name: 3-(3-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=CSC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CCC3=CSC=C3

InChI

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