8-(Heptyloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
Basic information
- CAS
5415-81-6- Standard SMILES
CCCCCCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C- InChIKey
NVCGUSOCRLSEKK-UHFFFAOYSA-N- Molecular formula
- C15H24N4O3
- Average molar mass
- 308.38 g/mol
- Monoisotopic mass
- 308.18484064
Names & identifiers
- Preferred name
- 8-(Heptyloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 8-heptoxy-1,3,7-trimethylpurine-2,6-dione
Names & synonyms
5415-81-68-(heptyloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dioneNSC11303DTXSID20279115NSC-11303
Database identifiers
- CAS
5415-81-6- PubChem CID
- 223567
- DTXSID
DTXSID20279115
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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