Basic information
- Standard SMILES
CC(=O)OCC(CCn1c(Cl)nc2c(Cl)nc(N)nc21)COC(C)=O- InChIKey
NWNVMRSMXNPLCO-UHFFFAOYSA-N- Molecular formula
- C14H17Cl2N5O4
- Average molar mass
- 390.2 g/mol
Names & identifiers
- Preferred name
- 9-[4-Acetoxy-3-(acetoxymethyl)but-1-yl]-2-amino-6,8-dichloropurine
- IUPAC
- [2-(acetyloxymethyl)-4-(2-amino-6,8-dichloropurin-9-yl)butyl] acetate
Names & synonyms
SCHEMBL3150498NWNVMRSMXNPLCO-UHFFFAOYSA-N9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-amino-6,8-dichloropurine
Database identifiers
- PubChem CID
- 11025564
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Related reactions
2 records
Compound notes
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