N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C21H25N4OS2+ MolecularWeight: 413.5794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C21H24N4OS2/c26-19(14-28-21-18-8-11-27-20(18)23-15-24-21)22-12-16-4-6-17(7-5-16)13-25-9-2-1-3-10-25/h4-8,11,15H,1-3,9-10,12-14H2,(H,22,26)/p+1