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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N8OS/c1-19-13(16-17-18-19)23-10-3-11(22)20-6-8-21(9-7-20)12-14-4-2-5-15-12/h2,4-5H,3,6-10H2,1H3