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Chemistry, part 1

Content language

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Concept information

organobromine compound > act-132577
organic aromatic compound > aromatic ether > act-132577
... > 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 > act-132577
organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > act-132577
organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > act-132577
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric amide > sulfamides > act-132577
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric amide > sulfamides > act-132577

Preferred term

act-132577  

Type

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

Broader concept

charge

  • 0

formula

  • C16H14Br2N6O4S

has_functional_parent

has_role

inchi

  • InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)

inchikey

  • DKULOVKANLVDEA-UHFFFAOYSA-N

mass

  • 546.19300

monoisotopicmass

  • 543.91640

smiles

  • NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1

subset

  • 3_STAR

synonym EXACT

  • N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]sulfuric diamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:76609

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