2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C21H25N4OS2+ MolecularWeight: 413.5794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C21H24N4OS2/c1-2-17-11-18-20(22-14-23-21(18)28-17)27-13-19(26)24-16-7-5-15(6-8-16)12-25-9-3-4-10-25/h5-8,11,14H,2-4,9-10,12-13H2,1H3,(H,24,26)/p+1