Basic information
- Standard SMILES
CC(=O)OCCn1cnc2c(Cl)nc(Nc3ccccc3)nc21- InChIKey
MODVEBSZABMKCU-UHFFFAOYSA-N- Molecular formula
- C15H14ClN5O2
- Average molar mass
- 331.76 g/mol
- Monoisotopic mass
- 331.0836024
Names & identifiers
- Preferred name
- 2-Anilino-6-chloro-9-(2-acetoxyethyl)purine
- IUPAC
- 2-(2-anilino-6-chloropurin-9-yl)ethyl acetate
Names & synonyms
SCHEMBL8537871MODVEBSZABMKCU-UHFFFAOYSA-N2-Anilino-6-chloro-9-(2-acetoxyethyl)purine
Database identifiers
- PubChem CID
- 10404476
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
2 records
Compound notes
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