2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H17N5O2S/c21-13(12-23-14-4-1-2-7-20(14)22)18-8-10-19(11-9-18)15-16-5-3-6-17-15/h1-7H,8-12H2