Description
An oxopurine that is xanthine in which the hydrogen attached to the nitrogen at position 7 is replaced by a methyl group. It is an intermediate metabolite in the synthesis of caffeine.
Chemical properties
| Chemical formula | Net charge | Average mass |
|---|---|---|
| C6H6N4O2 | 0 | 166.13740 |
Nomenclature
| IUPAC | SMILES | InChI | InChIKey | Synonyms |
|---|---|---|---|---|
| 7-methyl-3,7-dihydro-1H-purine-2,6-dione | Cn1cnc2[nH]c(=O)[nH]c(=O)c12 | InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) | PFWLFWPASULGAN-UHFFFAOYSA-N |
|
Citations
- Ashihara, H, et al. 2007. Caffeine and related purine alkaloids: biosynthesis, catabolism, function and genetic engineering. Phytochemistry. 69(4).
- Nitsche, H, et al. 1973. Heteroxanthin in Euglena gracilis. Archiv Fur Mikrobiologie. 90(2).
- Safranow, K, et al. 2001. [Identification and quantitation of purine derivatives in urinary calculi as markers of abnormal purine metabolism by using high-performance liquid chromatography (HPLC)]. Annales Academiae Medicae Stetinensis. 46.