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Chemistry, part 1

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Concept information

organochlorine compound > chlorobenzenes > monochlorobenzenes > pp2
organic aromatic compound > aromatic amine > pp2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > pp2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > pp2

Preferred term

pp2  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C15H16ClN5

has_role

inchi

  • InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)

inchikey

  • PBBRWFOVCUAONR-UHFFFAOYSA-N

mass

  • 301.77400

monoisotopicmass

  • 301.10942

smiles

  • CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12

subset

  • 3_STAR

synonym EXACT

  • 1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

synonym RELATED

  • AG 1879
  • AG-1879
  • AG1879

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:78331

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