N-(1-cyanocyclopentyl)-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C24H28N5O2S2+ MolecularWeight: 482.64142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC(=O)NC5(CCCC5)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC(=O)NC5(CCCC5)C#N

InChI

InChI=1S/C24H27N5O2S2/c25-16-24(8-2-3-9-24)27-20(30)14-29-19(13-28-10-4-1-5-11-28)26-22-21(23(29)31)17(15-33-22)18-7-6-12-32-18/h6-7,12,15H,1-5,8-11,13-14H2,(H,27,30)/p+1