9-ethyl-3H-purine-2,6-dione
Basic information
- CAS
37962-92-8- Standard SMILES
CCn1cnc2c(=O)[nH]c(=O)[nH]c21- InChIKey
DGYYSFOHNFAMAB-UHFFFAOYSA-N- Molecular formula
- C7H8N4O2
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.06472551
Names & identifiers
- Preferred name
- 9-ethyl-3H-purine-2,6-dione
- IUPAC
- 9-ethyl-3H-purine-2,6-dione
- English name
- 9-ethyl-3H-purine-2,6-dione
- Molecular formula
- C7H8N4O2
- Molecular weight
- 180.16
Names & synonyms
9-ethyl-3H-purine-2,6-dione37962-92-8DTXSID10280917RefChem:313101DTXCID502320719-ethyl-1H-purine-2,6(3H,9H)-dione9-ethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione9-ethyl-3,9-dihydro-1h-purine-2,6-dioneNSC19075SCHEMBL380137SCHEMBL27573642NSC-19075
Show more names
1H-Purine-2,6-dione, 9-ethyl-3,9-dihydro-
purine-2,6(1H,3H)-dione, 9-ethyl-DS-001694
Database identifiers
- CAS
37962-92-8- PubChem CID
- 227475
- DTXSID
DTXSID10280917
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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