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

Systemtic Name: 2-[4-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1,3,4-oxadiazole Openeye Name: 2-[4-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1,3,4-oxadiazole CAS Name: 2-[4-[[5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[4-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1,3,4-oxadiazole Traditional Name: 2-[4-[5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1,3,4-oxadiazole Formula: C21H22N5O2S+ MolecularWeight: 408.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC=C(C=C3)C4=NN=CO4)C[NH+]5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC=C(C=C3)C4=NN=CO4)C[NH+]5CCCC5)C

InChI

InChI=1S/C21H21N5O2S/c1-13-14(2)29-21-18(13)20(23-17(24-21)11-26-9-3-4-10-26)28-16-7-5-15(6-8-16)19-25-22-12-27-19/h5-8,12H,3-4,9-11H2,1-2H3/p+1