3,7-Dimethyl-8-methylsulfanylpurine-2,6-dione
Basic information
- CAS
40959-23-7- Standard SMILES
CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C- InChIKey
PMWPLYPRAQKOAU-UHFFFAOYSA-N- Molecular formula
- C8H10N4O2S
- Average molar mass
- 226.26 g/mol
- Monoisotopic mass
- 226.05244675
Names & identifiers
- Preferred name
- 3,7-Dimethyl-8-methylsulfanylpurine-2,6-dione
- IUPAC
- 3,7-dimethyl-8-methylsulfanylpurine-2,6-dione
- English name
- 3,7-dimethyl-8-methylsulfanyl-purine-2,6-dione
- Molecular formula
- C8H10N4O2S
- Molecular weight
- 226.26
Names & synonyms
40959-23-7NSC814963,7-dimethyl-8-(methylsulfanyl)-3,7-dihydro-1h-purine-2,6-dione3,7-dimethyl-8-methylsulfanylpurine-2,6-dione3,7-DIMETHYL-8-METHYLSULFANYL-PURINE-2,6-DIONEOprea1_751187Oprea1_873569SCHEMBL21602433DTXSID00292307NSC-81496AH-034/078220603,7-DIMETHYL-8-METHYLSULFANYL-3,7-DIHYDRO-PURINE-2,6-DIONE
Show more names
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-8-(methylthio)-
Database identifiers
- CAS
40959-23-7- PubChem CID
- 255756
- DTXSID
DTXSID00292307
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
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Compound notes
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