98027-52-2 Purity
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Specification
The molecular formula is C5H2Cl2N4O.
The molecular weight is 205.00 g/mol.
The IUPAC name is 2,6-dichloro-7,9-dihydropurin-8-one.
The InChI is InChI=1S/C5H2Cl2N4O/c6-2-1-3(10-4(7)9-2)11-5(12)8-1/h(H2,8,9,10,11,12).
The InChIKey is XQTXZNIILLJNQA-UHFFFAOYSA-N.
The canonical SMILES is C12=C(NC(=O)N1)N=C(N=C2Cl)Cl.
The CAS number is 98027-86-2.
The EC number is 832-540-5.
The ChEMBL ID is CHEMBL1885988.
Yes, 2,6-Dichloropurin-8-ol is a canonicalized compound.