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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C12H16N8OS MolecularWeight: 320.37344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C12H16N8OS/c1-18-12(15-16-17-18)22-9-10(21)19-5-7-20(8-6-19)11-13-3-2-4-14-11/h2-4H,5-9H2,1H3