Basic information
- Standard SMILES
COc1cc(OCc2ccccc2)ccc1-c1nc2c([nH]1)c(=O)n(C)c(=O)n2C- InChIKey
PJQRMGQKAABHJW-UHFFFAOYSA-N- Molecular formula
- C21H20N4O4
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- 1,3-Dimethyl-8-(2-methoxy-4-benzyloxy-phenyl)-1H,3H-purin-2,6-dione
- IUPAC
- 8-(2-methoxy-4-phenylmethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
SCHEMBL10688449PJQRMGQKAABHJW-UHFFFAOYSA-N1,3-Dimethyl-8-(2-methoxy-4-benzyloxy-phenyl)-1H,3H-purin-2,6-dione
Database identifiers
- PubChem CID
- 20153217
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 611
Related reactions
1 records
Compound notes
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