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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > addition compound > hydrate > mercaptopurine hydrate

Preferred term

mercaptopurine hydrate  

Type

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

Broader concept

charge

  • 0

formula

  • C5H4N4S.H2O
  • C5H6N4OS

has_part

inchi

  • InChI=1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2

inchikey

  • WFFQYWAAEWLHJC-UHFFFAOYSA-N

mass

  • 170.19350

monoisotopicmass

  • 170.02623

smiles

  • O.S=c1[nH]cnc2nc[nH]c12

subset

  • 3_STAR

synonym EXACT

  • 1,7-dihydro-6H-purine-6-thione--water (1/1)
  • Mercaptopurine hydrate

synonym RELATED

  • 1,7-dihydro-6H-purine-6-thione hydrate
  • 1,7-dihydro-6H-purine-6-thione monohydrate
  • 6-Mercaptopurine hydrate
  • 6-Mercaptopurine monohydrate
  • mercaptopurine monohydrate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31822

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