8-(2-(3,4-Dimethoxy-PH)-ethylamino)-3-ME-7-phenethyl-3,7-2H-purine-2,6-dione
Basic information
- CAS
883795-76-4- Standard SMILES
COc1ccc(CCNc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)cc1OC- InChIKey
ZGVZARZOXSAUHM-UHFFFAOYSA-N- Molecular formula
- C24H27N5O4
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.20630436
Names & identifiers
- Preferred name
- 8-(2-(3,4-Dimethoxy-PH)-ethylamino)-3-ME-7-phenethyl-3,7-2H-purine-2,6-dione
- IUPAC
- 8-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-7-(2-phenylethyl)purine-2,6-dione
Names & synonyms
AKOS0243260518-(2-(3,4-DIMETHOXY-PH)-ETHYLAMINO)-3-ME-7-PHENETHYL-3,7-2H-PURINE-2,6-DIONE
Database identifiers
- CAS
883795-76-4- PubChem CID
- 4130673
- EC Number
- 153-494-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 673
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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