Basic information
- CAS
72754-65-5- Standard SMILES
Cn1c(=O)c2c(ncn2CCNC(c2ccccc2)c2ccccc2)n(C)c1=O- InChIKey
WZOSCNGIFBVLPA-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-1,3-dimethyl-7-(2-((diphenylmethyl)amino)ethyl)-
- IUPAC
- 7-[2-(benzhydrylamino)ethyl]-1,3-dimethylpurine-2,6-dione
Names & synonyms
BRN 118004772754-65-51H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((diphenylmethyl)amino)ethyl)-DTXSID202230573,7-Dihydro-1,3-dimethyl-7-(2-((diphenylmethyl)amino)ethyl)-1H-purine-2,6-dioneNSC 342446RefChem:239520DTXCID201455485-26-14-00006 (Beilstein Handbook Reference)NSC3424467-{2-[(diphenylmethyl)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dioneAKOS001144895
Show more names
NSC-3424467-(2-(Benzhydrylamino)ethyl)-1,6(3H,7H)-dione
Database identifiers
- CAS
72754-65-5- PubChem CID
- 100672
- DTXSID
DTXSID20223057
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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