9-Butyl-6-[(4-chlorophenyl)methylsulfanyl]purin-2-amine
Basic information
- CAS
24398-01-4- Standard SMILES
CCCCn1cnc2c(SCc3ccc(Cl)cc3)nc(N)nc21- InChIKey
GYDUPSSJDVALJK-UHFFFAOYSA-N- Molecular formula
- C16H18ClN5S
- Average molar mass
- 347.9 g/mol
- Monoisotopic mass
- 347.0971445
Names & identifiers
- Preferred name
- 9-Butyl-6-[(4-chlorophenyl)methylsulfanyl]purin-2-amine
- IUPAC
- 9-butyl-6-[(4-chlorophenyl)methylsulfanyl]purin-2-amine
Names & synonyms
24398-01-4MLS0026087009-Butyl-6-((4-chlorobenzyl)thio)-9H-purin-2-amine9-butyl-6-[(4-chlorophenyl)methylsulfanyl]purin-2-amineNSC45156CHEMBL1729684DTXSID00286387HMS3080J15NSC-45156SMR0015274459-Butyl-6-{[(4-chlorophenyl)methyl]sulfanyl}-9H-purin-2-amine
Database identifiers
- CAS
24398-01-4- PubChem CID
- 239745
- DTXSID
DTXSID00286387- ChEMBL
CHEMBL1729684
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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