10-Ethyl-3,7-dimethyl-5-oxo-5lambda~5~-benzo[g]pteridine-2,4(3H,10H)-dione
Basic information
- CAS
65818-59-9- Standard SMILES
CCn1c2nc(=O)n(C)c(=O)c-2[n+]([O-])c2cc(C)ccc21- InChIKey
XVGIKFYIGCZCMA-UHFFFAOYSA-N- Molecular formula
- C14H14N4O3
- Average molar mass
- 286.29 g/mol
- Monoisotopic mass
- 286.10659032
Names & identifiers
- Preferred name
- 10-Ethyl-3,7-dimethyl-5-oxo-5lambda~5~-benzo[g]pteridine-2,4(3H,10H)-dione
- IUPAC
- 10-ethyl-3,7-dimethyl-5-oxidobenzo[g]pteridin-5-ium-2,4-dione
Names & synonyms
65818-59-9NSC282728DTXSID70314404NSC-28272810-Ethyl-3,7-dimethyl-5-oxo-5lambda~5~-benzo[g]pteridine-2,4(3H,10H)-dioneDS-007106Benzo[g]pteridine-2,4(3H,10H)-dione, 10-ethyl-3,7-dimethyl-, 5-oxide
Database identifiers
- CAS
65818-59-9- PubChem CID
- 323334
- DTXSID
DTXSID70314404
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 569
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Related reactions
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Compound notes
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