3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C15H17N6O2S+ MolecularWeight: 345.39948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)OC(=N2)C3=CC=CS3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)OC(=N2)C3=CC=CS3)C4=NC=CC=N4

InChI

InChI=1S/C15H16N6O2S/c22-15-21(18-13(23-15)12-3-1-10-24-12)11-19-6-8-20(9-7-19)14-16-4-2-5-17-14/h1-5,10H,6-9,11H2/p+1