6-chloranyl-3-methyl-7H-purin-3-ium chloride

Systemtic Name: 6-chloranyl-3-methyl-7H-purin-3-ium chloride Openeye Name: 6-chloro-3-methyl-7H-purin-3-ium chloride CAS Name: 6-chloro-3-methyl-7H-purin-3-ium chloride IUPAC Name: 6-chloro-3-methyl-7H-purin-3-ium chloride Traditional Name: 6-chloro-3-methyl-7H-purin-3-ium chloride Formula: C6H6Cl2N4 MolecularWeight: 205.04464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5ClN4.ClH/c1-11-3-10-5(7)4-6(11)9-2-8-4;/h2-3H,1H3;1H