5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 5-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate IUPAC Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2,4-diketo-1H-pyrimidine-6-carboxylate Formula: C16H17FN4O4 MolecularWeight: 348.328983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NC(=O)NC2=O)C(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NC(=O)NC2=O)C(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN4O4/c17-10-1-3-11(4-2-10)21-7-5-20(6-8-21)9-12-13(15(23)24)18-16(25)19-14(12)22/h1-4H,5-9H2,(H,23,24)(H2,18,19,22,25)