N,N-diethyl-3,5-dimethyl-imidazo[1,2-a]purin-8-ium-9-amine iodide

Systemtic Name: N,N-diethyl-3,5-dimethyl-imidazo[1,2-a]purin-8-ium-9-amine iodide Openeye Name: N,N-diethyl-3,5-dimethyl-imidazo[1,2-a]purin-8-ium-9-amine iodide CAS Name: N,N-diethyl-3,5-dimethyl-9-imidazo[1,2-a]purin-8-iumamine iodide IUPAC Name: N,N-diethyl-3,5-dimethylimidazo[1,2-a]purin-8-ium-9-amine iodide Traditional Name: (3,5-dimethylimidazo[1,2-a]purin-8-ium-9-yl)-diethyl-amine iodide Formula: C13H19IN6 MolecularWeight: 386.23463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=[N+]2C=CN(C2=NC3=C1N=CN3C)C.[I-]

Isomeric SMILES

CCN(CC)C1=[N+]2C=CN(C2=NC3=C1N=CN3C)C.[I-]

InChI

InChI=1S/C13H19N6.HI/c1-5-18(6-2)12-10-11(17(4)9-14-10)15-13-16(3)7-8-19(12)13;/h7-9H,5-6H2,1-4H3;1H/q+1;/p-1