2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2-thenyl)piperazin-4-ium-1-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C17H19N4OS3+ MolecularWeight: 391.55396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C17H18N4OS3/c22-15(11-25-17-14-3-9-24-16(14)18-12-19-17)21-6-4-20(5-7-21)10-13-2-1-8-23-13/h1-3,8-9,12H,4-7,10-11H2/p+1