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

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H23N4OS2+ MolecularWeight: 399.55282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H22N4OS2/c25-18(13-27-20-17-7-10-26-19(17)22-14-23-20)21-11-15-3-5-16(6-4-15)12-24-8-1-2-9-24/h3-7,10,14H,1-2,8-9,11-13H2,(H,21,25)/p+1