3,9-diethyl-7,8-dihydroimidazo[2,1-f]purin-6-ium bromide

Systemtic Name: 3,9-diethyl-7,8-dihydroimidazo[2,1-f]purin-6-ium bromide Openeye Name: 3,9-diethyl-7,8-dihydroimidazo[2,1-f]purin-6-ium bromide CAS Name: 3,9-diethyl-7,8-dihydroimidazo[2,1-f]purin-6-ium bromide IUPAC Name: 3,9-diethyl-7,8-dihydroimidazo[2,1-f]purin-6-ium bromide Traditional Name: 3,9-diethyl-7,8-dihydroimidazo[2,1-f]purin-6-ium bromide Formula: C11H16BrN5 MolecularWeight: 298.18224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+]2=C1C3=C(N=C2)N(C=N3)CC.[Br-]

Isomeric SMILES

CCN1CC[N+]2=C1C3=C(N=C2)N(C=N3)CC.[Br-]

InChI

InChI=1S/C11H16N5.BrH/c1-3-14-5-6-16-8-13-10-9(11(14)16)12-7-15(10)4-2;/h7-8H,3-6H2,1-2H3;1H/q+1;/p-1