CAS
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Specification
The molecular formula is C6H2BrClN2S.
The molecular weight is 249.52 g/mol.
The IUPAC name is 6-bromo-4-chlorothieno[2,3-d]pyrimidine.
The InChI is InChI=1S/C6H2BrClN2S/c7-4-1-3-5(8)9-2-10-6(3)11-4/h1-2H.
The InChIKey is CMIXHHOZGMSYKN-UHFFFAOYSA-N.
The canonical SMILES is C1=C(SC2=C1C(=NC=N2)Cl)Br.
The CAS number is 56844-12-3.
The ChEMBL ID is CHEMBL3416445.
Yes, it is a canonicalized compound.