Basic information
- CAS
1080-62-2- Standard SMILES
CSc1nc2[nH]c(=O)n(O)c(=O)c2n1C- InChIKey
VKZVRWRMSZLEEF-UHFFFAOYSA-N- Molecular formula
- C7H8N4O3S
- Average molar mass
- 228.23 g/mol
- Monoisotopic mass
- 228.0317113
Names & identifiers
- Preferred name
- 1-Hydroxy-7-methyl-8-(methylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 1-hydroxy-7-methyl-8-methylsulfanyl-3H-purine-2,6-dione
Names & synonyms
1080-62-21-hydroxy-7-methyl-8-(methylsulfanyl)-3,7-dihydro-1h-purine-2,6-dioneNSC85704DTXSID50292817NSC-85704
Database identifiers
- CAS
1080-62-2- PubChem CID
- 257572
- DTXSID
DTXSID50292817
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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