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

Systemtic Name: N-(4-cyanophenyl)-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(4-cyanophenyl)-2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C25H24N5O2S2+ MolecularWeight: 490.62036

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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=CC=C(C=C5)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H23N5O2S2/c26-13-17-6-8-18(9-7-17)27-22(31)15-30-21(14-29-10-2-1-3-11-29)28-24-23(25(30)32)19(16-34-24)20-5-4-12-33-20/h4-9,12,16H,1-3,10-11,14-15H2,(H,27,31)/p+1