9-Butyl-6-[(4-fluorobenzyl)sulfanyl]-9h-purin-2-amine
Basic information
- CAS
1581-24-4- Standard SMILES
CCCCn1cnc2c(SCc3ccc(F)cc3)nc(N)nc21- InChIKey
CESUEFRCKWPTHT-UHFFFAOYSA-N- Molecular formula
- C16H18FN5S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.12669493
Names & identifiers
- Preferred name
- 9-Butyl-6-[(4-fluorobenzyl)sulfanyl]-9h-purin-2-amine
- IUPAC
- 9-butyl-6-[(4-fluorophenyl)methylsulfanyl]purin-2-amine
Names & synonyms
1581-24-49-Butyl-6-((4-fluorobenzyl)thio)-9H-purin-2-amine9-butyl-6-[(4-fluorobenzyl)sulfanyl]-9h-purin-2-amineNSC49820DTXSID10287244NSC-498209-Butyl-6-{[(4-fluorophenyl)methyl]sulfanyl}-9H-purin-2-amine
Database identifiers
- CAS
1581-24-4- PubChem CID
- 241900
- DTXSID
DTXSID10287244
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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