N-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(2-methoxyphenyl)-2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: 2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide Formula: C25H27N4O3S2+ MolecularWeight: 495.63688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CN2C(=NC3=C(C2=O)C(=CS3)C4=CC=CS4)C[NH+]5CCCCC5

InChI

InChI=1S/C25H26N4O3S2/c1-32-19-9-4-3-8-18(19)26-22(30)15-29-21(14-28-11-5-2-6-12-28)27-24-23(25(29)31)17(16-34-24)20-10-7-13-33-20/h3-4,7-10,13,16H,2,5-6,11-12,14-15H2,1H3,(H,26,30)/p+1