Basic information
- Standard SMILES
OCc1cnn([C@@H]2C=C[C@H](n3cnc4c(Cl)nc(Cl)nc43)C2)c1- InChIKey
RAIOZJRCAIYMQT-VHSXEESVSA-N- Molecular formula
- C14H12Cl2N6O
- Average molar mass
- 351.2 g/mol
Names & identifiers
- Preferred name
- {1-[(1S,4R)-4-(2,6-Dichloro-purin-9-yl)cyclopent-2-enyl]-1H-pyrazol-4-yl}-methanol
- IUPAC
- [1-[(1S,4R)-4-(2,6-dichloropurin-9-yl)cyclopent-2-en-1-yl]pyrazol-4-yl]methanol
Names & synonyms
SCHEMBL2808436RAIOZJRCAIYMQT-VHSXEESVSA-N{1-[(1S,4R)-4-(2,6-dichloro purin-9-yl)-cyclopent-2-enyl]-1H-pyrazol-4-yl}-methanol{1-[(1S,4R)-4-(2,6-Dichloro-purin-9-yl)-cyclopent-2-enyl]-1H-pyrazol-4-yl}-methanol{1-[(1S,4R)-4-(2,6-Dichloro-purin-9-yl)cyclopent-2-enyl]-1H-pyrazol-4-yl}-methanol
Database identifiers
- PubChem CID
- 86637576
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Related reactions
3 records
Compound notes
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