Basic information
- CAS
2803-89-6- Standard SMILES
CC(C)CCn1cnc2c(SCc3ccccc3F)nc(N)nc21- InChIKey
DRPMMZUPXRKFRU-UHFFFAOYSA-N- Molecular formula
- C17H20FN5S
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.14234499
Names & identifiers
- Preferred name
- 6-[(2-Fluorobenzyl)sulfanyl]-9-(3-methylbutyl)-9h-purin-2-amine
- IUPAC
- 6-[(2-fluorophenyl)methylsulfanyl]-9-(3-methylbutyl)purin-2-amine
Names & synonyms
2803-89-66-((2-Fluorobenzyl)thio)-9-isopentyl-9H-purin-2-amine6-[(2-fluorobenzyl)sulfanyl]-9-(3-methylbutyl)-9h-purin-2-amineNSC52448DTXSID50287768NSC-524489H-Purin-2-amine,6-[[(2-fluorophenyl)methyl]thio]-9-(3-methylbutyl)-DS-0061716-{[(2-Fluorophenyl)methyl]sulfanyl}-9-(3-methylbutyl)-9H-purin-2-amine
Database identifiers
- CAS
2803-89-6- PubChem CID
- 243162
- DTXSID
DTXSID50287768
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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