Basic information
- CAS
5441-71-4- Standard SMILES
C=CCn1c(=O)n(C)c(=O)c2c1nc(Cl)n2C- InChIKey
XXMVFZJNPRTFLK-UHFFFAOYSA-N- Molecular formula
- C10H11ClN4O2
- Average molar mass
- 254.67 g/mol
- Monoisotopic mass
- 254.0570533
Names & identifiers
- Preferred name
- 8-Chloro-1,7-dimethyl-3-(prop-2-en-1-yl)-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 8-chloro-1,7-dimethyl-3-prop-2-enylpurine-2,6-dione
Names & synonyms
5441-71-43-Allyl-8-chloro-1,7-dimethyl-1H-purine-2,6(3H,7H)-dione8-chloro-1,7-dimethyl-3-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-chloro-1,7-dimethyl-3-(prop-2-en-1-yl)-3,7-dihydro-1h-purine-2,6-dioneNSC20992DTXSID70281248NSC-20992
Database identifiers
- CAS
5441-71-4- PubChem CID
- 228239
- DTXSID
DTXSID70281248
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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