2-[4-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C20H26N5OS2+ MolecularWeight: 416.58334

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C)C4=CC=CS4

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C)C4=CC=CS4

InChI

InChI=1S/C20H25N5OS2/c1-3-6-21-17(26)12-24-7-9-25(10-8-24)19-18-15(16-5-4-11-27-16)13-28-20(18)23-14(2)22-19/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,21,26)/p+1