3,7-dihydropurine-2,6-dione

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3,7-dihydropurine-2,6-dione structure
Structural Feature
Purine scaffold
Reactive Feature
Lactam
Synthesis Role
Bioactive scaffold
Application Context
Biomedicine Life science reagent
CAS Number69-89-6
Product CodeSL1112037
EC Number200-718-6
Molecular FormulaC5H4N4O2
Molecular Weight152.11
Melting Point>300 °C (dec.)
Boiling PointSublimes (dec.)
Density1.55 g/cm³ (Predicted)
Refractive Index1.8500 (estimate)
SMILESO=c1[nH]c(=O)c2[nH]cnc2[nH]1
InChIKeyLRFVTYWOQMYALW-UHFFFAOYSA-N
DescriptionXanthine (3,7-dihydropurine-2,6-dione), the purine alkaloid parent core. The parent compound of caffeine, theophylline, and theobromine; an important bioactive scaffold.
ApplicationsPharmaceutical intermediate; purine scaffold; alkaloid

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