9-(phenylmethyl)-6-[3-(phenylmethyl)imidazol-3-ium-1-yl]purine iodide

Systemtic Name: 9-(phenylmethyl)-6-[3-(phenylmethyl)imidazol-3-ium-1-yl]purine iodide Openeye Name: 9-benzyl-6-(3-benzylimidazol-3-ium-1-yl)purine iodide CAS Name: 9-(phenylmethyl)-6-[3-(phenylmethyl)-1-imidazol-3-iumyl]purine iodide IUPAC Name: 9-benzyl-6-(3-benzylimidazol-3-ium-1-yl)purine iodide Traditional Name: 9-benzyl-6-(3-benzylimidazol-3-ium-1-yl)purine iodide Formula: C22H19IN6 MolecularWeight: 494.33093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N4C=C[N+](=C4)CC5=CC=CC=C5.[I-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N4C=C[N+](=C4)CC5=CC=CC=C5.[I-]

InChI

InChI=1S/C22H19N6.HI/c1-3-7-18(8-4-1)13-26-11-12-27(17-26)21-20-22(24-15-23-21)28(16-25-20)14-19-9-5-2-6-10-19;/h1-12,15-17H,13-14H2;1H/q+1;/p-1