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

Systemtic Name: 3-phenyl-5-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[[4-(4-thieno[3,2-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C19H19N6OS+ MolecularWeight: 379.45876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C4=NC=NC5=C4SC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C4=NC=NC5=C4SC=C5

InChI

InChI=1S/C19H18N6OS/c1-2-4-14(5-3-1)18-22-16(26-23-18)12-24-7-9-25(10-8-24)19-17-15(6-11-27-17)20-13-21-19/h1-6,11,13H,7-10,12H2/p+1