2-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-ethyl-5-tetrazolyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-ethyltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-ethyltetrazol-5-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C13H18N8OS MolecularWeight: 334.40002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C13H18N8OS/c1-2-21-13(16-17-18-21)23-10-11(22)19-6-8-20(9-7-19)12-14-4-3-5-15-12/h3-5H,2,6-10H2,1H3