4-(4-azanyl-5-methyl-pyrimidin-1-ium-2-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one

Systemtic Name: 4-(4-azanyl-5-methyl-pyrimidin-1-ium-2-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one Openeye Name: 4-(4-amino-5-methyl-pyrimidin-1-ium-2-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one CAS Name: 4-(4-amino-5-methyl-2-pyrimidin-1-iumyl)-1-[(4-fluorophenyl)methyl]-2-piperazinone IUPAC Name: 4-(4-amino-5-methylpyrimidin-1-ium-2-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one Traditional Name: 4-(4-amino-5-methyl-pyrimidin-1-ium-2-yl)-1-(4-fluorobenzyl)piperazin-2-one Formula: C16H19FN5O+ MolecularWeight: 316.353363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N=C1N)N2CCN(C(=O)C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C[NH+]=C(N=C1N)N2CCN(C(=O)C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H18FN5O/c1-11-8-19-16(20-15(11)18)22-7-6-21(14(23)10-22)9-12-2-4-13(17)5-3-12/h2-5,8H,6-7,9-10H2,1H3,(H2,18,19,20)/p+1