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

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22FN4OS+ MolecularWeight: 421.510383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H21FN4OS/c24-17-6-8-18(9-7-17)28-12-10-27(11-13-28)14-20-25-22(29)21-19(15-30-23(21)26-20)16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,25,26,29)/p+1