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Basic information
- Standard SMILES
CS(=O)(=O)N1CCC[C@@H](Nc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)C1- InChIKey
NZRJXOUEEQDHFL-MRXNPFEDSA-N- Molecular formula
- C23H22Cl2N6O2S
- Average molar mass
- 517.4 g/mol
- Monoisotopic mass
- 516.0902005
Names & identifiers
- Preferred name
- 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[(3R)-1-methanesulfonylpiperidin-3-yl]-9H-purin-6-amine
- IUPAC
- 8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]purin-6-amine
Names & synonyms
CHEMBL2180237SCHEMBL15200917NZRJXOUEEQDHFL-MRXNPFEDSA-N8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-[(3R)-1-methanesulfonylpiperidin-3-yl]-9H-purin-6-amine
Database identifiers
- PubChem CID
- 71452016
- ChEMBL
CHEMBL2180237
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 793
Related reactions
1 records
Compound notes
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