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The molecular formula is C7H5Cl2N3S.
It was created on 2005-03-26 and modified on 2023-12-30.
The IUPAC name is 4,6-dichloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
The InChI is InChI=1S/C7H5Cl2N3S/c1-13-7-11-5(9)3-2-4(8)10-6(3)12-7/h2H,1H3,(H,10,11,12).
The InChIKey is AYLKWJLSXAICBZ-UHFFFAOYSA-N.
The Canonical SMILES is CSC1=NC2=C(C=C(N2)Cl)C(=N1)Cl.
The molecular weight is 234.11 g/mol.
It has 1 hydrogen bond donor count.
The topological polar surface area is 66.9 Ų.
Yes, the compound is canonicalized.
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