Basic information
- CAS
130216-53-4- Standard SMILES
Cn1c(=O)c2c(nc(N(Cc3ccccc3)Cc3ccccc3)n2C)n(C)c1=O- InChIKey
RELWZSIMCNXVCC-UHFFFAOYSA-N- Molecular formula
- C22H23N5O2
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.18517499
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(phenylmethyl)amino)-1,3,7-trimethyl-
- IUPAC
- 8-(dibenzylamino)-1,3,7-trimethylpurine-2,6-dione
Names & synonyms
8-N,N-DibenzylaminocaffeineBRN 0358935130216-53-41H-Purine-2,6-dione, 3,7-dihydro-8-(bis(phenylmethyl)amino)-1,3,7-trimethyl-DTXSID001564150-26-00-00590 (Beilstein Handbook Reference)3,7-Dihydro-8-(bis(phenylmethyl)amino)-1,3,7-trimethyl-1H-purine-2,6-dioneRefChem:239657DTXCID00789068-(Dibenzylamino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
130216-53-4- PubChem CID
- 64138
- DTXSID
DTXSID00156415- Nikkaji
- J1.169.798D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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