6-chloranyl-2-propyl-7H-purin-9-ium chloride

Systemtic Name: 6-chloranyl-2-propyl-7H-purin-9-ium chloride Openeye Name: 6-chloro-2-propyl-7H-purin-9-ium chloride CAS Name: 6-chloro-2-propyl-7H-purin-9-ium chloride IUPAC Name: 6-chloro-2-propyl-7H-purin-9-ium chloride Traditional Name: 6-chloro-2-propyl-7H-purin-9-ium chloride Formula: C8H10Cl2N4 MolecularWeight: 233.0978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)Cl)NC=[NH+]2.[Cl-]

Isomeric SMILES

CCCC1=NC2=C(C(=N1)Cl)NC=[NH+]2.[Cl-]

InChI

InChI=1S/C8H9ClN4.ClH/c1-2-3-5-12-7(9)6-8(13-5)11-4-10-6;/h4H,2-3H2,1H3,(H,10,11,12,13);1H