C12 H18 N4 O7 P2 S
HTD
2-[(9aR)-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-[(9aR)-2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d][1,3]t...Show more
Formula
Standard InChI
InChI=1S/C12H18N4O7P2S/c1-7-10(3-4-22-25(20,21)23-24(17,18)19)26-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5,12H,3-4,6H2,1-2H...Show more
Standard InChI Key
YMICAUCZSWITQD-GFCCVEGCSA-N
SMILES
Cc1ncc2c(n1)N[C@@H]3[N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)...Show more
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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