10-Butyl-5-oxidobenzo[g]pteridin-5-ium-2,4-dione
Basic information
- CAS
58668-90-9- Standard SMILES
CCCCn1c2nc(=O)[nH]c(=O)c-2[n+]([O-])c2ccccc21- InChIKey
PNFUFKJUSMBLBL-UHFFFAOYSA-N- Molecular formula
- C14H14N4O3
- Average molar mass
- 286.29 g/mol
- Monoisotopic mass
- 286.10659032
Names & identifiers
- Preferred name
- 10-Butyl-5-oxidobenzo[g]pteridin-5-ium-2,4-dione
- IUPAC
- 10-butyl-5-oxidobenzo[g]pteridin-5-ium-2,4-dione
Names & synonyms
NSC28045858668-90-9DTXSID00314058NSC-28045810-Butyl-5-oxo-5lambda~5~-benzo[g]pteridine-2,4(3H,10H)-dione
Database identifiers
- CAS
58668-90-9- PubChem CID
- 322522
- DTXSID
DTXSID00314058
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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