Basic information
- Standard SMILES
Cc1nc2c(-c3ccncc3)nc(Nc3cc(Cl)ccc3[N+](=O)[O-])nc2n1C1CCOCC1- InChIKey
HAZJXELXJAWKQA-UHFFFAOYSA-N- Molecular formula
- C22H20ClN7O3
- Average molar mass
- 465.9 g/mol
Names & identifiers
- Preferred name
- N-(5-chloro-2-nitrophenyl)-8-methyl-6-(pyridin-4-yl)-9-(tetrahydro-2H-pyran-4-yl)-9H-purin-2-amine
- IUPAC
- N-(5-chloro-2-nitrophenyl)-8-methyl-9-(oxan-4-yl)-6-pyridin-4-ylpurin-2-amine
Names & synonyms
SCHEMBL1511966HAZJXELXJAWKQA-UHFFFAOYSA-NN-(5-chloro-2-nitrophenyl)-8-methyl-6-(pyridin-4-yl)-9-(tetrahydro-2H-pyran-4-yl)-9H-purin-2-amine
Database identifiers
- PubChem CID
- 57612643
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 673
Related reactions
6 records
Compound notes
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