2-(pyrrolidin-1-ium-1-ylmethyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole Openeye Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole CAS Name: 2-(1-pyrrolidin-1-iumylmethyl)-5-(4-thieno[2,3-d]pyrimidinylthio)-1,3,4-oxadiazole IUPAC Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole Traditional Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-5-(thieno[2,3-d]pyrimidin-4-ylthio)-1,3,4-oxadiazole Formula: C13H14N5OS2+ MolecularWeight: 320.41316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(O2)SC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(O2)SC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C13H13N5OS2/c1-2-5-18(4-1)7-10-16-17-13(19-10)21-12-9-3-6-20-11(9)14-8-15-12/h3,6,8H,1-2,4-5,7H2/p+1