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

Systemtic Name: 5-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C16H19N6OS+ MolecularWeight: 343.42666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC=CC=N2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC=CC=N2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C16H18N6OS/c1-4-13(24-11-1)15-19-14(23-20-15)12-21-7-3-8-22(10-9-21)16-17-5-2-6-18-16/h1-2,4-6,11H,3,7-10,12H2/p+1