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

Systemtic Name: 2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: 2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-benzyl-2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C25H27N4O2S2+ MolecularWeight: 479.63748

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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)NCC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2S2/c30-22(26-14-18-8-3-1-4-9-18)16-29-21(15-28-11-5-2-6-12-28)27-24-23(25(29)31)19(17-33-24)20-10-7-13-32-20/h1,3-4,7-10,13,17H,2,5-6,11-12,14-16H2,(H,26,30)/p+1