Basic information
- CAS
57533-87-6- Standard SMILES
Cn1c(=O)c2[nH]cnc2n(C)c1=O.[K+]- InChIKey
AYOJGYLLBVGRNI-UHFFFAOYSA-N- Molecular formula
- C7H8KN4O2+
- Average molar mass
- 219.26 g/mol
- Monoisotopic mass
- 219.028432
Names & identifiers
- Preferred name
- 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, potassium salt
- IUPAC
- potassium 1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, potassium saltRefChem:1066134260-798-3AYOJGYLLBVGRNI-UHFFFAOYSA-NEINECS 260-798-3NS00086730
Database identifiers
- CAS
57533-87-6- PubChem CID
- 93705
- EC Number
- 260-798-3
Properties
Computed structural properties
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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