2-[4-(5-phenyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(5-phenyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[5-phenyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(5-phenyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[5-phenyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C26H28N5OS2+ MolecularWeight: 490.66342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C26H27N5OS2/c32-22(30-10-4-5-11-30)17-29-12-14-31(15-13-29)25-23-20(19-7-2-1-3-8-19)18-34-26(23)28-24(27-25)21-9-6-16-33-21/h1-3,6-9,16,18H,4-5,10-15,17H2/p+1