Basic information
- Standard SMILES
CP(C)(=O)Cn1c(=O)c2[nH]cnc2n(-c2ccccc2)c1=O- InChIKey
SQRLISBKCGITMF-UHFFFAOYSA-N- Molecular formula
- C14H15N4O3P
- Average molar mass
- 318.27 g/mol
Names & identifiers
- Preferred name
- [1-(3-Phenylxanthin-1-yl)methyl]dimethylphosphine Oxide
- IUPAC
- 1-(dimethylphosphorylmethyl)-3-phenyl-7H-purine-2,6-dione
Names & synonyms
SCHEMBL6244272SQRLISBKCGITMF-UHFFFAOYSA-N[1-(3-Phenylxanthin-1-yl)methyl]dimethylphosphine Oxide
Database identifiers
- PubChem CID
- 9818429
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 514
Related reactions
2 records
Compound notes
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