Basic information
- CAS
92553-66-7- Standard SMILES
CCCn1cnc2c(SCc3ccc(Cl)cc3Cl)nc(N)nc21- InChIKey
XDQFRIAWIKDQMA-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2N5S
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.0425221
Names & identifiers
- Preferred name
- 6-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-9-propyl-9H-purin-2-amine
- IUPAC
- 6-[(2,4-dichlorophenyl)methylsulfanyl]-9-propylpurin-2-amine
Names & synonyms
92553-66-76-((2,4-Dichlorobenzyl)thio)-9-propyl-9H-purin-2-amineNSC44583DTXSID402862856-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-9-propyl-9H-purin-2-amineNSC-44583
Database identifiers
- CAS
92553-66-7- PubChem CID
- 239489
- DTXSID
DTXSID40286285
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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