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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > imidazopyrimidine > purines > oxopurine > 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > imidazopyrimidine > purines > oxopurine > 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione

Preferred term

7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C20H17FN4O3S2

inchi

  • InChI=1S/C20H17FN4O3S2/c1-23-17-16(18(27)24(2)20(23)28)25(10-12-5-7-13(21)8-6-12)19(22-17)30-11-14(26)15-4-3-9-29-15/h3-9H,10-11H2,1-2H3

inchikey

  • LDAMUYGSAJJUBT-UHFFFAOYSA-N

mass

  • 444.505

monoisotopicmass

  • 444.07261

smiles

  • CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC=CS3)CC4=CC=C(C=C4)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:109726

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