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

Systemtic Name: 2-[[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile CAS Name: 2-[[4-oxo-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Traditional Name: 2-[[4-keto-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzonitrile Formula: C24H23N4OS2+ MolecularWeight: 447.59562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC5=CC=CC=C5C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC5=CC=CC=C5C#N

InChI

InChI=1S/C24H22N4OS2/c25-13-17-7-2-3-8-18(17)14-28-21(15-27-10-4-1-5-11-27)26-23-22(24(28)29)19(16-31-23)20-9-6-12-30-20/h2-3,6-9,12,16H,1,4-5,10-11,14-15H2/p+1