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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > thiopurine > n-(1h-benzo[f]benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > thiopurine > n-(1h-benzo[f]benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > thiopurine > n-(1h-benzo[f]benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > thiopurine > n-(1h-benzo[f]benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine

Preferred term

n-(1h-benzo[f]benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine  

Type

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

Broader concept

charge

  • 0

formula

  • C25H22N8OS

inchi

  • InChI=1S/C25H22N8OS/c1-2-4-17-12-20-19(11-16(17)3-1)28-21(29-20)13-26-23-22-24(33(15-27-22)18-5-10-35-14-18)31-25(30-23)32-6-8-34-9-7-32/h1-5,10-12,14-15H,6-9,13H2,(H,28,29)(H,26,30,31)

inchikey

  • YKFITDVTDUOHEH-UHFFFAOYSA-N

mass

  • 482.562

monoisotopicmass

  • 482.16373

smiles

  • C1COCCN1C2=NC3=C(C(=N2)NCC4=NC5=CC6=CC=CC=C6C=C5N4)N=CN3C7=CSC=C7

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:92186

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