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Content language

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Concept information

Preferred term

1-methyl-7h-xanthine  

Type

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

Broader concept

charge

  • 0

formula

  • C6H6N4O2

has_functional_parent

inchi

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

inchikey

  • MVOYJPOZRLFTCP-UHFFFAOYSA-N

mass

  • 166.13740

monoisotopicmass

  • 166.04908

smiles

  • Cn1c(=O)[nH]c2nc[nH]c2c1=O

subset

  • 3_STAR

synonym EXACT

  • 1-methyl-3,7-dihydro-1H-purine-2,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68444

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