2-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(1,1-diketo-2,3-dihydrothiophen-3-yl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CC3CS(=O)(=O)C=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CC3CS(=O)(=O)C=C3

InChI

InChI=1S/C14H18N4O3S/c19-13(10-12-2-9-22(20,21)11-12)17-5-7-18(8-6-17)14-15-3-1-4-16-14/h1-4,9,12H,5-8,10-11H2