8-Methyl-6-nitro-2,4,5-trioxo-1,3-diphenyl-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-7-olate
Basic information
- CAS
189998-34-3- Standard SMILES
Cn1c(=O)c([N+](=O)[O-])c([O-])c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21- InChIKey
DLIDALHUSAXDCZ-UHFFFAOYSA-M- Molecular formula
- C20H13N4O6-
- Average molar mass
- 405.3 g/mol
- Monoisotopic mass
- 405.08350915
Names & identifiers
- Preferred name
- 8-Methyl-6-nitro-2,4,5-trioxo-1,3-diphenyl-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-7-olate
- IUPAC
- 8-methyl-6-nitro-2,4,7-trioxo-1,3-diphenylpyrido[2,3-d]pyrimidin-5-olate
Names & synonyms
DTXSID50652694189998-34-38-Methyl-6-nitro-2,4,5-trioxo-1,3-diphenyl-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-7-olate
Database identifiers
- CAS
189998-34-3- PubChem CID
- 29993333
- DTXSID
DTXSID50652694
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- -1
- Complexity
- 861
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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