2-tert-butyl-6-chloranyl-7H-purin-9-ium chloride

Systemtic Name: 2-tert-butyl-6-chloranyl-7H-purin-9-ium chloride Openeye Name: 2-tert-butyl-6-chloro-7H-purin-9-ium chloride CAS Name: 2-tert-butyl-6-chloro-7H-purin-9-ium chloride IUPAC Name: 2-tert-butyl-6-chloro-7H-purin-9-ium chloride Traditional Name: 2-tert-butyl-6-chloro-7H-purin-9-ium chloride Formula: C9H12Cl2N4 MolecularWeight: 247.12438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)Cl)NC=[NH+]2.[Cl-]

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)Cl)NC=[NH+]2.[Cl-]

InChI

InChI=1S/C9H11ClN4.ClH/c1-9(2,3)8-13-6(10)5-7(14-8)12-4-11-5;/h4H,1-3H3,(H,11,12,13,14);1H