3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione
Basic information
- CAS
7505-71-7- Standard SMILES
CCN(CC)c1nc2c(=O)n(C)c(=O)n(Cc3ccccc3)c2n1C- InChIKey
JZOJMWBMMUXBID-UHFFFAOYSA-N- Molecular formula
- C18H23N5O2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.18517499
Names & identifiers
- Preferred name
- 3-Benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione
- IUPAC
- 3-benzyl-8-(diethylamino)-1,9-dimethylpurine-2,6-dione
Names & synonyms
NSC4007657505-71-7DTXSID50322249NSC-400765DS-0140983-benzyl-8-diethylamino-1,9-dimethyl-purine-2,6-dione3-Benzyl-8-(diethylamino)-1,9-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
7505-71-7- PubChem CID
- 344073
- DTXSID
DTXSID50322249
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…