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

Systemtic Name: 2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-isopropyltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-propan-2-yl-5-tetrazolyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-isopropyltetrazol-5-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C14H20N8OS MolecularWeight: 348.4266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C14H20N8OS/c1-11(2)22-14(17-18-19-22)24-10-12(23)20-6-8-21(9-7-20)13-15-4-3-5-16-13/h3-5,11H,6-10H2,1-2H3