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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > diazines > pyrimidines > aminopyrimidine > cycotiamine hydrochloride
... > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > aminopyrimidine > cycotiamine hydrochloride
... > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > aminopyrimidine > cycotiamine hydrochloride
organic aromatic compound > aromatic amine > aminopyrimidine > cycotiamine hydrochloride
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > aminopyrimidine > cycotiamine hydrochloride
... > 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 > aminopyrimidine > cycotiamine hydrochloride

Preferred term

cycotiamine hydrochloride  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16N4O3S.HCl
  • C13H17ClN4O3S

inchi

  • InChI=1S/C13H16N4O3S.ClH/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14;/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16);1H/b11-8-;

inchikey

  • TWKGUAZLHNQNQW-MKFZHGHUSA-N

mass

  • 344.819

monoisotopicmass

  • 344.07099

smiles

  • Cl.N1=C(N=CC(=C1N)CN(C=O)/C(=C/2/SC(OCC2)=O)/C)C

subset

  • 2_STAR

synonym EXACT

  • Cycotiamine hydrochloride

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31449

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