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Basic information
- Standard SMILES
CSc1nc2cncnc2n1Cc1ccc(F)cc1- InChIKey
DTGQKWICECIAEY-UHFFFAOYSA-N- Molecular formula
- C13H11FN4S
- Average molar mass
- 274.32 g/mol
- Monoisotopic mass
- 274.0688457
Names & identifiers
- Preferred name
- 9-[(4-fluorophenyl)methyl]-8-(methylthio)-9H-purine
- IUPAC
- 9-[(4-fluorophenyl)methyl]-8-methylsulfanylpurine
Names & synonyms
SCHEMBL9564873DTGQKWICECIAEY-UHFFFAOYSA-N9-[(4-fluorophenyl)methyl]-8-(methylthio)-9H-purine
Database identifiers
- PubChem CID
- 19785232
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
6 records
Compound notes
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