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Content language

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Concept information

Preferred term

3-methyl-9h-xanthine  

Type

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

Broader concept

charge

  • 0

formula

  • C6H6N4O2

has_role

inchi

  • InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)

inchikey

  • GMSNIKWWOQHZGF-UHFFFAOYSA-N

is_tautomer_of

mass

  • 166.13740

monoisotopicmass

  • 166.04908

smiles

  • Cn1c2[nH]cnc2c(=O)[nH]c1=O

subset

  • 3_STAR

synonym EXACT

  • 3-methyl-3,9-dihydro-1H-purine-2,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62207

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