Basic information
- CAS
50992-14-8- Standard SMILES
CC(=O)OCCN1CCC(n2cnc3c(Cl)ncnc32)C1=O- InChIKey
PQOKVRVURFCQFL-UHFFFAOYSA-N- Molecular formula
- C13H14ClN5O3
- Average molar mass
- 323.73 g/mol
- Monoisotopic mass
- 323.078517
Names & identifiers
- Preferred name
- 2-[3-(6-Chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate
- IUPAC
- 2-[3-(6-chloropurin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetate
Names & synonyms
50992-14-82-[3-(6-chloro-9h-purin-9-yl)-2-oxopyrrolidin-1-yl]ethyl acetateNSC151828DTXSID70302548NSC-151828
Database identifiers
- CAS
50992-14-8- PubChem CID
- 289643
- DTXSID
DTXSID70302548
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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