8-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione

Systemtic Name: 8-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 8-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione CAS Name: 8-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-quinone Formula: C17H20FN6O2+ MolecularWeight: 359.378103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C17H19FN6O2/c1-22-15-14(16(25)21-17(22)26)19-13(20-15)10-23-6-8-24(9-7-23)12-5-3-2-4-11(12)18/h2-5H,6-10H2,1H3,(H,19,20)(H,21,25,26)/p+1