2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylethanoate

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylethanoate Openeye Name: 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]acetate IUPAC Name: 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]acetate Formula: C12H15N4O3S- MolecularWeight: 295.3375

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSCC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSCC(=O)[O-]

InChI

InChI=1S/C12H16N4O3S/c17-10(8-20-9-11(18)19)15-4-6-16(7-5-15)12-13-2-1-3-14-12/h1-3H,4-9H2,(H,18,19)/p-1