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The molecular formula is C6H5ClN4.
The molecular weight is 168.58 g/mol.
The IUPAC Name is 6-chloro-8-methyl-7H-purine.
The InChI is InChI=1S/C6H5ClN4/c1-3-10-4-5(7)8-2-9-6(4)11-3/h2H,1H3,(H,8,9,10,11).
The InChIKey is MZYQXIIORWCBHF-UHFFFAOYSA-N.
The Canonical SMILES is CC1=NC2=C(N1)C(=NC=N2)Cl.
The CAS number is 92001-52-0.
The DSSTox Substance ID is DTXSID10419922.
The Nikkaji Number is J2.046.062H.
Yes, 9H-Purine,6-chloro-8-methyl is canonicalized.
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