Basic information
- CAS
72754-66-6- Standard SMILES
Cn1c(=O)c2c(ncn2CCNC(c2ccccc2)c2ccc(Br)cc2)n(C)c1=O- InChIKey
SGLWLMJSJXFJPV-UHFFFAOYSA-N- Molecular formula
- C22H22BrN5O2
- Average molar mass
- 468.3 g/mol
- Monoisotopic mass
- 467.09569
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(((4-bromophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-
- IUPAC
- 7-[2-[[(4-bromophenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
Names & synonyms
72754-66-61H-Purine-2,6-dione, 3,7-dihydro-7-(2-(((4-bromophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-RefChem:10583683,7-Dihydro-7-(2-(((4-bromophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-1H-purine-2,6-dioneBRN 1184972NSC342447NSC 342447NSC-342447DS-0139857-(2-((4-Hydroxyphenyl)(phenyl)methylamino)ethyl)-1,6(3H,7H)-dione
Database identifiers
- CAS
72754-66-6- PubChem CID
- 100142
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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