8-Butoxy-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
Basic information
- CAS
2099-74-3- Standard SMILES
CCCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1C- InChIKey
RDLZNCHACVMZLT-UHFFFAOYSA-N- Molecular formula
- C12H18N4O3
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13789045
Names & identifiers
- Preferred name
- 8-Butoxy-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 8-butoxy-1,3,7-trimethylpurine-2,6-dione
Names & synonyms
2099-74-3MLS0007379448-Butoxy-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione8-butoxy-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-butoxy-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dioneHMS2884O14NSC11275CHEMBL1535378DTXSID20279099NSC-11275SMR000528098DS-009269
Show more names
8-butoxy-1,3,7-trimethyl-purine-2,6-dione
Database identifiers
- CAS
2099-74-3- PubChem CID
- 223540
- DTXSID
DTXSID20279099- ChEMBL
CHEMBL1535378- Nikkaji
- J339.158B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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