Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Theobromine 83-67-0 5429
Structure Other Information
Canonical SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
Iso SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
InChI Key YAPQBXQYLJRXSA-UHFFFAOYSA-N
Formula C7H8N4O2
Mol Weight 180.164
XlogP3 -0.8
Charge 0

Click structure image, you can go to pubchem link...

Synonyms Information
CAS Name 3,7-dimethylpurine-2,6-dione
IUPAC Name 3,7-dimethylpurine-2,6-dione
Openeye Name 3,7-dimethylpurine-2,6-dione
Systematic Name 3,7-dimethylpurine-2,6-dione
Tratitional Name 3,7-dimethylpurine-2,6-dione