2-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-[(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)thio]-5-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-[[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]thio]-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Formula: C19H20N5OS3+ MolecularWeight: 430.59

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)SC4=NN=C(O4)C[NH+]5CCCCC5

Isomeric SMILES

CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)SC4=NN=C(O4)C[NH+]5CCCCC5

InChI

InChI=1S/C19H19N5OS3/c1-12-20-17-16(13(11-27-17)14-6-5-9-26-14)18(21-12)28-19-23-22-15(25-19)10-24-7-3-2-4-8-24/h5-6,9,11H,2-4,7-8,10H2,1H3/p+1