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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organic sulfide > thiopurine > 2-(4-morpholinyl)-9-(3-thiophenyl)-n-[[6-(trifluoromethyl)-1h-benzimidazol-2-yl]methyl]-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > thiopurine > 2-(4-morpholinyl)-9-(3-thiophenyl)-n-[[6-(trifluoromethyl)-1h-benzimidazol-2-yl]methyl]-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > thiopurine > 2-(4-morpholinyl)-9-(3-thiophenyl)-n-[[6-(trifluoromethyl)-1h-benzimidazol-2-yl]methyl]-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > thiopurine > 2-(4-morpholinyl)-9-(3-thiophenyl)-n-[[6-(trifluoromethyl)-1h-benzimidazol-2-yl]methyl]-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > thiopurine > 2-(4-morpholinyl)-9-(3-thiophenyl)-n-[[6-(trifluoromethyl)-1h-benzimidazol-2-yl]methyl]-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > thiopurine > 2-(4-morpholinyl)-9-(3-thiophenyl)-n-[[6-(trifluoromethyl)-1h-benzimidazol-2-yl]methyl]-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > thiopurine > 2-(4-morpholinyl)-9-(3-thiophenyl)-n-[[6-(trifluoromethyl)-1h-benzimidazol-2-yl]methyl]-6-purinamine

Preferred term

2-(4-morpholinyl)-9-(3-thiophenyl)-n-[[6-(trifluoromethyl)-1h-benzimidazol-2-yl]methyl]-6-purinamine  

Type

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

Broader concept

charge

  • 0

formula

  • C22H19F3N8OS

inchi

  • InChI=1S/C22H19F3N8OS/c23-22(24,25)13-1-2-15-16(9-13)29-17(28-15)10-26-19-18-20(33(12-27-18)14-3-8-35-11-14)31-21(30-19)32-4-6-34-7-5-32/h1-3,8-9,11-12H,4-7,10H2,(H,28,29)(H,26,30,31)

inchikey

  • OJYLDJPQAFKURV-UHFFFAOYSA-N

mass

  • 500.501

monoisotopicmass

  • 500.13546

smiles

  • C1COCCN1C2=NC3=C(C(=N2)NCC4=NC5=C(N4)C=C(C=C5)C(F)(F)F)N=CN3C6=CSC=C6

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93395

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