Basic information
- CAS
35873-43-9- Standard SMILES
CCCCCCCc1nc2c([nH]1)c(=O)n(C)c(=O)n2C- InChIKey
IDRUVEWEPXUION-UHFFFAOYSA-N- Molecular formula
- C14H22N4O2
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.17427596
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-
- IUPAC
- 8-heptyl-1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
3,7-Dihydro-1,3-dimethyl-8-heptyl-1H-purine-2,6-dione35873-43-9BRN 11356221H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl-DTXSID80189428NSC 101794RefChem:239563DTXCID10111919NSC1017948-heptyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dioneNCIOpen2_006828SCHEMBL4222552
Show more names
NSC-101794
Database identifiers
- CAS
35873-43-9- PubChem CID
- 97134
- DTXSID
DTXSID80189428
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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