Basic information
- Standard SMILES
Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc32)cc2cccc(C)c2c1=O- InChIKey
XEJTYGQRSVAXKK-UHFFFAOYSA-N- Molecular formula
- C23H20N6O
- Average molar mass
- 396.4 g/mol
Names & identifiers
- Preferred name
- 3-((6-amino-9H-purin-9-yl)methyl)-8-methyl-2-o-tolylisoquinolin-1(2H)-one
- IUPAC
- 3-[(6-aminopurin-9-yl)methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
Names & synonyms
SCHEMBL936038XEJTYGQRSVAXKK-UHFFFAOYSA-NBDBM744090US20250170122, Compound 53-((6-amino-9H-purin-9-yl)methyl)-8-methyl-2-o-tolylisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 58008698
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 683
Related reactions
6 records
Compound notes
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