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

Preferred term

1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C21H23N7O2S

inchi

  • InChI=1S/C21H23N7O2S/c1-25(14-15-8-5-4-6-9-15)20-24-17-16(18(29)27(3)21(30)26(17)2)28(20)12-13-31-19-22-10-7-11-23-19/h4-11H,12-14H2,1-3H3

inchikey

  • PWYPNUCUNLAZFU-UHFFFAOYSA-N

mass

  • 437.520

monoisotopicmass

  • 437.16339

smiles

  • CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC=CC=N4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116982

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