9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione
Basic information
- CAS
40848-30-4- Standard SMILES
CSc1nc2c(=O)[nH]c(=O)[nH]c2n1C- InChIKey
LFMVZURNICHXPZ-UHFFFAOYSA-N- Molecular formula
- C7H8N4O2S
- Average molar mass
- 212.23 g/mol
- Monoisotopic mass
- 212.03679668
Names & identifiers
- Preferred name
- 9-Methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dione
- IUPAC
- 9-methyl-8-methylsulfanyl-3H-purine-2,6-dione
Names & synonyms
40848-30-49-methyl-8-(methylsulfanyl)-3,9-dihydro-1h-purine-2,6-dioneNSC24132SCHEMBL6889681DTXSID40282080NSC-241329-Methyl-8-(methylthio)-1H-purine-2,6(3H,9H)-dione
Database identifiers
- CAS
40848-30-4- PubChem CID
- 229982
- DTXSID
DTXSID40282080
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…