1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(phenylmethyl)amino)-1,3-dimethyl-
Basic information
- CAS
40799-93-7- Standard SMILES
Cn1c(=O)c2[nH]c(N(Cc3ccccc3)Cc3ccccc3)nc2n(C)c1=O- InChIKey
SIMYYASCPGDFEN-UHFFFAOYSA-N- Molecular formula
- C21H21N5O2
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.16952493
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(phenylmethyl)amino)-1,3-dimethyl-
- IUPAC
- 8-(dibenzylamino)-1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
8-(Dibenzylamino)theophyllineBRN 117557540799-93-71H-Purine-2,6-dione, 3,7-dihydro-8-(bis(phenylmethyl)amino)-1,3-dimethyl-DTXSID201937813,7-Dihydro-8-(bis(phenylmethyl)amino)-1,3-dimethyl-1H-purine-2,6-dioneRefChem:239658DTXCID601162728-(dibenzylamino)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Database identifiers
- CAS
40799-93-7- PubChem CID
- 218561
- DTXSID
DTXSID20193781
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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