C13 H13 Cl N6
IVR
9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-am...Show more
Formula
Standard InChI
InChI=1S/C13H13ClN6/c1-16-11-10-12(19-13(14)18-11)20(7-17-10)6-8-4-2-3-5-9(8)15/h2-5,7H,6,15H2,1H3,(H,16,18,19)
Standard InChI Key
DWZUDMXEFPVERH-UHFFFAOYSA-N
SMILES
CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3N
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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