C17 H17 N3 O2 S
753
5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrim...Show more
Formula
Standard InChI
InChI=1S/C17H17N3O2S/c1-10-13-15(18-2)19-12(9-8-11-6-4-3-5-7-11)20-16(13)23-14(10)17(21)22/h3-7H,8-9H2,1-2H3,(H,21,22)(H...Show more
Standard InChI Key
WNBAQRWHLIHMSN-UHFFFAOYSA-N
SMILES
Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC
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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