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

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C14H18N8OS MolecularWeight: 346.41072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C14H18N8OS/c23-12(10-24-14-17-18-19-22(14)11-2-3-11)20-6-8-21(9-7-20)13-15-4-1-5-16-13/h1,4-5,11H,2-3,6-10H2