Basic information
- Standard SMILES
C=CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C- InChIKey
GURIFJBXOUVHNC-UHFFFAOYSA-N- Molecular formula
- C10H11ClN4O2
- Average molar mass
- 254.67 g/mol
- Monoisotopic mass
- 254.0570533
Names & identifiers
- Preferred name
- 7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione
- IUPAC
- 8-chloro-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Names & synonyms
Oprea1_574494Oprea1_8234427-allyl-8-chlorotheophyllineSCHEMBL5718940GURIFJBXOUVHNC-UHFFFAOYSA-NSTK804421AKOS000621126SR-01000461909SR-01000461909-17-allyl-8-chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione8-chloro-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- PubChem CID
- 738682
Properties
Computed structural properties
- XLogP
- 1.3
- 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
6 records
Compound notes
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