4-(2-azanyl-6-methyl-pyrimidin-3-ium-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one

Systemtic Name: 4-(2-azanyl-6-methyl-pyrimidin-3-ium-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one Openeye Name: 4-(2-amino-6-methyl-pyrimidin-3-ium-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one CAS Name: 4-(2-amino-6-methyl-4-pyrimidin-3-iumyl)-1-[(2-fluorophenyl)methyl]-2-piperazinone IUPAC Name: 4-(2-amino-6-methylpyrimidin-3-ium-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one Traditional Name: 4-(2-amino-6-methyl-pyrimidin-3-ium-4-yl)-1-(2-fluorobenzyl)piperazin-2-one Formula: C16H19FN5O+ MolecularWeight: 316.353363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N)N2CCN(C(=O)C2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N)N2CCN(C(=O)C2)CC3=CC=CC=C3F

InChI

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