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Substance Name: 9-Methylxanthine
RN: 1198-33-0
UNII: 13HCS9N24R
InChIKey: DHNIKYWYTSMDDA-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N4-O2

Molecular Weight

  • 166.1394
 
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Names and Synonyms

Name of Substance

  • 9-Methylxanthine

Synonyms

  • EINECS 214-831-3
  • UNII-13HCS9N24R

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1198-33-0

FDA UNII

  • 13HCS9N24R

System Generated Number

  • 0001198330

Structure Descriptors

InChI

1S/C6H6N4O2/c1-10-2-7-3-4(10)8-6(12)9-5(3)11/h2H,1H3,(H2,8,9,11,12)

InChIKey

DHNIKYWYTSMDDA-UHFFFAOYSA-N

Smiles

Cn1cnc2c1[nH]c(=O)[nH]c2=O