2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22FN4O2S2+ MolecularWeight: 469.574783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3)F

InChI

InChI=1S/C23H21FN4O2S2/c1-14(29)15-4-5-18(17(24)11-15)28-8-6-27(7-9-28)12-20-25-22(30)21-16(13-32-23(21)26-20)19-3-2-10-31-19/h2-5,10-11,13H,6-9,12H2,1H3,(H,25,26,30)/p+1