1-[2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]isonipecotamide Formula: C24H30N5O3S2+ MolecularWeight: 500.6567

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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)N5CCC(CC5)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC(=O)N5CCC(CC5)C(=O)N

InChI

InChI=1S/C24H29N5O3S2/c25-22(31)16-6-10-28(11-7-16)20(30)14-29-19(13-27-8-2-1-3-9-27)26-23-21(24(29)32)17(15-34-23)18-5-4-12-33-18/h4-5,12,15-16H,1-3,6-11,13-14H2,(H2,25,31)/p+1