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(Q82022572)
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English
4-[(2-amino-6-chloropyrimidin-4-yl)amino]benzonitrile
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
245.04682293599998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₈ClN₅
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canonical SMILES
C1=CC(=CC=C1C#N)NC2=CC(=NC(=N2)N)Cl
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Identifiers
InChI
InChI=1S/C11H8ClN5/c12-9-5-10(17-11(14)16-9)15-8-3-1-7(6-13)2-4-8/h1-5H,(H3,14,15,16,17)
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InChIKey
NMQBPKUHKFOZEN-UHFFFAOYSA-N
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CAS Registry Number
91183-10-7
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PubChem CID
240806
1 reference
matched by identifier from
InChIKey
InChIKey
NMQBPKUHKFOZEN-UHFFFAOYSA-N
UniChem compound ID
5259934
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90286775
1 reference
matched by identifier from
InChIKey
InChIKey
NMQBPKUHKFOZEN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30237923
0 references
NSC number
47523
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