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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione

Preferred term

8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C26H20FN5O6

inchi

  • InChI=1S/C26H20FN5O6/c27-18-7-9-19(10-8-18)38-21-11-6-17(14-20(21)32(36)37)23-28-24-22(30(23)12-13-33)25(34)29-26(35)31(24)15-16-4-2-1-3-5-16/h1-11,14,33H,12-13,15H2,(H,29,34,35)

inchikey

  • KYFFKLBLUZKIOW-UHFFFAOYSA-N

mass

  • 517.466

monoisotopicmass

  • 517.13976

smiles

  • C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4=CC(=C(C=C4)OC5=CC=C(C=C5)F)[N+](=O)[O-])CCO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112847

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