5-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-methyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-methyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C12H17N6OS+ MolecularWeight: 293.36798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)O1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=NN(C(=S)O1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C12H16N6OS/c1-10-15-18(12(20)19-10)9-16-5-7-17(8-6-16)11-13-3-2-4-14-11/h2-4H,5-9H2,1H3/p+1