CAS
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Specification
The molecular formula is C6H5N3S.
The molecular weight is 151.19 g/mol.
The IUPAC name is thieno[2,3-d]pyrimidin-4-amine.
The InChI is InChI=1S/C6H5N3S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9).
The InChIKey is DYTQGJLVGDSCLF-UHFFFAOYSA-N.
The canonical SMILES is C1=CSC2=NC=NC(=C21)N.
The CAS number is 14080-56-9.
The ChEMBL ID is CHEMBL1972934.
The XLogP3 value is 0.8.
Yes, thieno[2,3-d]pyrimidin-4-amine is a canonicalized compound.