2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-5-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Formula: C20H20N5OS2+ MolecularWeight: 410.5357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SC4=NN=C(O4)C[NH+]5CCCC5

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SC4=NN=C(O4)C[NH+]5CCCC5

InChI

InChI=1S/C20H19N5OS2/c1-13-21-18-15(11-16(27-18)14-7-3-2-4-8-14)19(22-13)28-20-24-23-17(26-20)12-25-9-5-6-10-25/h2-4,7-8,11H,5-6,9-10,12H2,1H3/p+1