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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione

Preferred term

7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C20H23ClFN5O2

inchi

  • InChI=1S/C20H23ClFN5O2/c1-24-18-17(19(28)25(2)20(24)29)27(11-13-14(21)7-6-8-15(13)22)16(23-18)12-26-9-4-3-5-10-26/h6-8H,3-5,9-12H2,1-2H3

inchikey

  • GQYNQHXEXRNBOH-UHFFFAOYSA-N

mass

  • 419.881

monoisotopicmass

  • 419.15243

smiles

  • CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)CC4=C(C=CC=C4Cl)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123204

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