C11 H13 N3 O2 S
M4Q
6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidin...Show more
Formula
Standard InChI
InChI=1S/C11H13N3O2S/c1-14(5-8-2-3-17-7-8)6-9-4-10(15)13-11(16)12-9/h2-3,7H,4-6H2,1H3,(H,13,15,16)
Standard InChI Key
MSXKBXFEBNYDJX-UHFFFAOYSA-N
SMILES
CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2
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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