N2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-methyl-pyrimidin-1-ium-2,4-diamine

Systemtic Name: N2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-methyl-pyrimidin-1-ium-2,4-diamine Openeye Name: N2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-methyl-pyrimidin-1-ium-2,4-diamine CAS Name: N2-[[1-(3-fluorophenyl)-4-pyrazolyl]methyl]-5-methylpyrimidin-1-ium-2,4-diamine IUPAC Name: 2-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrimidin-1-ium-2,4-diamine Traditional Name: (4-amino-5-methyl-pyrimidin-1-ium-2-yl)-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]amine Formula: C15H16FN6+ MolecularWeight: 299.326143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N=C1N)NCC2=CN(N=C2)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=C[NH+]=C(N=C1N)NCC2=CN(N=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C15H15FN6/c1-10-6-18-15(21-14(10)17)19-7-11-8-20-22(9-11)13-4-2-3-12(16)5-13/h2-6,8-9H,7H2,1H3,(H3,17,18,19,21)/p+1