6-Ethyl-1,3,8-trimethyl-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-7-olate
Basic information
- CAS
328917-65-3- Standard SMILES
CCc1c([O-])c2c(=O)n(C)c(=O)n(C)c2n(C)c1=O- InChIKey
OGWNWJCETDRJGE-UHFFFAOYSA-M- Molecular formula
- C12H14N3O4-
- Average molar mass
- 264.26 g/mol
- Monoisotopic mass
- 264.09843094
Names & identifiers
- Preferred name
- 6-Ethyl-1,3,8-trimethyl-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-7-olate
- IUPAC
- 6-ethyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-olate
Names & synonyms
DTXSID806800816-Ethyl-1,3,8-trimethyl-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-7-olate328917-65-3
Database identifiers
- CAS
328917-65-3- PubChem CID
- 51372007
- DTXSID
DTXSID80680081
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- -1
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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