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

Systemtic Name: N-(2-ethylphenyl)-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C26H29N4O2S2+ MolecularWeight: 493.66406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C[NH+]5CCCCC5

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C[NH+]5CCCCC5

InChI

InChI=1S/C26H28N4O2S2/c1-2-18-9-4-5-10-20(18)27-23(31)16-30-22(15-29-12-6-3-7-13-29)28-25-24(26(30)32)19(17-34-25)21-11-8-14-33-21/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16H2,1H3,(H,27,31)/p+1