2-[3-(6-Aminopurin-9-yl)propyl]isoindole-1,3-dione
Basic information
- CAS
21708-29-2- Standard SMILES
Nc1ncnc2c1ncn2CCCN1C(=O)c2ccccc2C1=O- InChIKey
NRQWVXNFUKXDMQ-UHFFFAOYSA-N- Molecular formula
- C16H14N6O2
- Average molar mass
- 322.32 g/mol
- Monoisotopic mass
- 322.11782371
Names & identifiers
- Preferred name
- 2-[3-(6-Aminopurin-9-yl)propyl]isoindole-1,3-dione
- IUPAC
- 2-[3-(6-aminopurin-9-yl)propyl]isoindole-1,3-dione
Names & synonyms
21708-29-22-[3-(6-aminopurin-9-yl)propyl]isoindole-1,3-dione2-[3-(6-amino-9h-purin-9-yl)propyl]-1h-isoindole-1,3(2h)-dioneNSC144671DTXSID20301602NSC-144671
Database identifiers
- CAS
21708-29-2- PubChem CID
- 286475
- DTXSID
DTXSID20301602
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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