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

Systemtic Name: 5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3-(3-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-3-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-3-(3-thienyl)-1,2,4-oxadiazole Formula: C15H17N6OS+ MolecularWeight: 329.40008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C4=NC=CC=N4

InChI

InChI=1S/C15H16N6OS/c1-3-16-15(17-4-1)21-7-5-20(6-8-21)10-13-18-14(19-22-13)12-2-9-23-11-12/h1-4,9,11H,5-8,10H2/p+1