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

Systemtic Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C19H20FN4OS2+ MolecularWeight: 403.516703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C19H19FN4OS2/c20-16-4-2-1-3-14(16)11-23-6-8-24(9-7-23)17(25)12-27-19-15-5-10-26-18(15)21-13-22-19/h1-5,10,13H,6-9,11-12H2/p+1