1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
75007-16-8- Standard SMILES
CC(=O)C(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)=O- InChIKey
GZAGJCRLIGRYTN-UHFFFAOYSA-N- Molecular formula
- C15H20N4O4
- Average molar mass
- 320.34 g/mol
- Monoisotopic mass
- 320.14845513
Names & identifiers
- Preferred name
- 1-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 1-(4-acetyl-5-oxohexyl)-3,7-dimethylpurine-2,6-dione
Names & synonyms
75007-16-8NSC 367242NSC367242SCHEMBL11302344DTXSID603209531-(4-Acetyl-5-oxohexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dioneNSC-367242
Database identifiers
- CAS
75007-16-8- PubChem CID
- 339647
- DTXSID
DTXSID60320953
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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