5-ethanoyl-3-[(4-fluorophenyl)methyl]-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione

Systemtic Name: 5-ethanoyl-3-[(4-fluorophenyl)methyl]-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione Openeye Name: 5-acetyl-3-[(4-fluorophenyl)methyl]-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione CAS Name: 5-acetyl-3-[(4-fluorophenyl)methyl]-1-(4-methyl-1-piperazin-4-iumyl)pyrimidine-2,4-dione IUPAC Name: 5-acetyl-3-[(4-fluorophenyl)methyl]-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione Traditional Name: 5-acetyl-3-(4-fluorobenzyl)-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-quinone Formula: C18H22FN4O3+ MolecularWeight: 361.390683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=O)N(C1=O)CC2=CC=C(C=C2)F)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)C1=CN(C(=O)N(C1=O)CC2=CC=C(C=C2)F)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H21FN4O3/c1-13(24)16-12-23(21-9-7-20(2)8-10-21)18(26)22(17(16)25)11-14-3-5-15(19)6-4-14/h3-6,12H,7-11H2,1-2H3/p+1