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Basic information
- Standard SMILES
N#Cc1ccc(Nc2nc(Oc3ccc(-c4ccncc4)cc3)c3[nH]cnc3n2)cc1- InChIKey
UEXKCVZJDXBXQZ-UHFFFAOYSA-N- Molecular formula
- C23H15N7O
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.13380813
Names & identifiers
- Preferred name
- 4-(6-(4-(Pyridin-4-yl)phenoxy)-7H-purin-2-ylamino)benzonitrile
- IUPAC
- 4-[[6-(4-pyridin-4-ylphenoxy)-7H-purin-2-yl]amino]benzonitrile
Names & synonyms
SCHEMBL4110137UEXKCVZJDXBXQZ-UHFFFAOYSA-N4-(6-(4-(Pyridin-4-yl)phenoxy)-7H-purin-2-ylamino)benzonitrile
Database identifiers
- PubChem CID
- 57747435
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 617
Related reactions
3 records
Compound notes
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