3-butyl-7H-purin-3-ium-6-amine bromide

Systemtic Name: 3-butyl-7H-purin-3-ium-6-amine bromide Openeye Name: 3-butyl-7H-purin-3-ium-6-amine bromide CAS Name: 3-butyl-7H-purin-3-ium-6-amine bromide IUPAC Name: 3-butyl-7H-purin-3-ium-6-amine bromide Traditional Name: (3-butyl-7H-purin-3-ium-6-yl)amine bromide Formula: C9H14BrN5 MolecularWeight: 272.14496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C2C(=C(N=C1)N)NC=N2.[Br-]

Isomeric SMILES

CCCC[N+]1=C2C(=C(N=C1)N)NC=N2.[Br-]

InChI

InChI=1S/C9H13N5.BrH/c1-2-3-4-14-6-13-8(10)7-9(14)12-5-11-7;/h5-6H,2-4H2,1H3,(H2,10,11,12);1H