9-[(2-fluorophenyl)methyl]-1-methyl-purin-1-ium-6-amine

Systemtic Name: 9-[(2-fluorophenyl)methyl]-1-methyl-purin-1-ium-6-amine Openeye Name: 9-[(2-fluorophenyl)methyl]-1-methyl-purin-1-ium-6-amine CAS Name: 9-[(2-fluorophenyl)methyl]-1-methyl-6-purin-1-iumamine IUPAC Name: 9-[(2-fluorophenyl)methyl]-1-methylpurin-1-ium-6-amine Traditional Name: [9-(2-fluorobenzyl)-1-methyl-purin-1-ium-6-yl]amine Formula: C13H13FN5+ MolecularWeight: 258.274223

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(N=C1)N(C=N2)CC3=CC=CC=C3F)N

Isomeric SMILES

C[N+]1=C(C2=C(N=C1)N(C=N2)CC3=CC=CC=C3F)N

InChI

InChI=1S/C13H12FN5/c1-18-7-17-13-11(12(18)15)16-8-19(13)6-9-4-2-3-5-10(9)14/h2-5,7-8,15H,6H2,1H3/p+1