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

Systemtic Name: 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(2,5-dimethyl-3-furyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(2,5-dimethyl-3-furanyl)-5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(2,5-dimethyl-3-furyl)-5-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Formula: C17H21N6O2+ MolecularWeight: 341.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NN=C(O2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NN=C(O2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H20N6O2/c1-12-10-14(13(2)24-12)16-21-20-15(25-16)11-22-6-8-23(9-7-22)17-18-4-3-5-19-17/h3-5,10H,6-9,11H2,1-2H3/p+1