3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione
Basic information
- CAS
329695-76-3- Standard SMILES
CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C- InChIKey
AUWVLMIKNAROCO-UHFFFAOYSA-N- Molecular formula
- C11H16N4O2S
- Average molar mass
- 268.34 g/mol
- Monoisotopic mass
- 268.09939694
Names & identifiers
- Preferred name
- 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione
- IUPAC
- 3-methyl-7-(2-methylpropyl)-8-methylsulfanylpurine-2,6-dione
Names & synonyms
Oprea1_111979Oprea1_834290DTXSID7011456063,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dioneAKOS000576029329695-76-3AG-690/101090067-isobutyl-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione3-Methyl-7-(2-methylpropyl)-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
329695-76-3- PubChem CID
- 677003
- DTXSID
DTXSID701145606
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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