2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H24FN4O2S+ MolecularWeight: 463.547063

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3)F

InChI

InChI=1S/C25H23FN4O2S/c1-16(31)18-7-8-21(20(26)13-18)30-11-9-29(10-12-30)15-23-27-24(32)19-14-22(33-25(19)28-23)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,27,28,32)/p+1