6-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-(4-ethylpiperazin-4-ium-1-yl)-3-(4-fluorobenzyl)uracil Formula: C17H22FN4O2+ MolecularWeight: 333.380583

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=O)N(C(=O)N2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=O)N(C(=O)N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4O2/c1-2-20-7-9-21(10-8-20)15-11-16(23)22(17(24)19-15)12-13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,19,24)/p+1