1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C17H18ClN4OS3+ MolecularWeight: 425.99902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C17H17ClN4OS3/c18-14-2-1-12(26-14)9-21-4-6-22(7-5-21)15(23)10-25-17-13-3-8-24-16(13)19-11-20-17/h1-3,8,11H,4-7,9-10H2/p+1