9-ethyl-1-[2-(ethylamino)ethyl]purin-1-ium-6-amine bromide

Systemtic Name: 9-ethyl-1-[2-(ethylamino)ethyl]purin-1-ium-6-amine bromide Openeye Name: 9-ethyl-1-[2-(ethylamino)ethyl]purin-1-ium-6-amine bromide CAS Name: 9-ethyl-1-[2-(ethylamino)ethyl]-6-purin-1-iumamine bromide IUPAC Name: 9-ethyl-1-[2-(ethylamino)ethyl]purin-1-ium-6-amine bromide Traditional Name: 2-(6-amino-9-ethyl-purin-1-ium-1-yl)ethyl-ethyl-amine bromide Formula: C11H19BrN6 MolecularWeight: 315.21276

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC[N+]1=C(C2=C(N=C1)N(C=N2)CC)N.[Br-]

Isomeric SMILES

CCNCC[N+]1=C(C2=C(N=C1)N(C=N2)CC)N.[Br-]

InChI

InChI=1S/C11H18N6.BrH/c1-3-13-5-6-17-8-15-11-9(10(17)12)14-7-16(11)4-2;/h7-8,12-13H,3-6H2,1-2H3;1H