4(3H)-Pteridinone, 3-ethyl-6-phenyl-, 8-oxide
Basic information
- CAS
113424-84-3- Standard SMILES
CCn1cnc2c(nc(-c3ccccc3)c[n+]2[O-])c1=O- InChIKey
ABUAHPODAZIBNM-UHFFFAOYSA-N- Molecular formula
- C14H12N4O2
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.09602564
Names & identifiers
- Preferred name
- 4(3H)-Pteridinone, 3-ethyl-6-phenyl-, 8-oxide
- IUPAC
- 3-ethyl-8-oxido-6-phenylpteridin-8-ium-4-one
Names & synonyms
4(3H)-Pteridinone, 3-ethyl-6-phenyl-, 8-oxide113424-84-3DTXSID30347531RefChem:283714DTXCID602986033-Ethyl-6-phenyl-4(3H)-pteridinone 8-oxideAC-907/341230643-Ethyl-8-oxo-6-phenyl-8lambda~5~-pteridin-4(3H)-one
Database identifiers
- CAS
113424-84-3- PubChem CID
- 622698
- DTXSID
DTXSID30347531
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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