CAS
6311-60-0 Purity
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6311-60-0 Purity
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Specification
The molecular formula is C6H3Cl2N3.
The molecular weight is 188.01 g/mol.
The IUPAC name is 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine.
The InChI is InChI=1S/C6H3Cl2N3/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H.
The InChIKey is MVTLFDKTYGKJEX-UHFFFAOYSA-N.
The canonical SMILES is C1=CNC2=C1N=C(N=C2Cl)Cl.
The CAS number is 63200-54-4.
The European Community (EC) number is 810-549-5.
The ChEMBL ID is CHEMBL3236416.
Yes, 2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine is a canonicalized compound.