8-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
Basic information
- CAS
5429-50-5- Standard SMILES
COc1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC- InChIKey
VOVXVZZFRIHNEA-UHFFFAOYSA-N- Molecular formula
- C24H26N4O6
- Average molar mass
- 466.5 g/mol
- Monoisotopic mass
- 466.18523456
Names & identifiers
- Preferred name
- 8-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
- IUPAC
- 8-(3,4-dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
Names & synonyms
NSC141505429-50-5DTXSID40279798NSC-141508-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
5429-50-5- PubChem CID
- 225076
- DTXSID
DTXSID40279798
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 740
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