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54030-51-2,MFCD00023901
Catalog No.:AA00DU3A

54030-51-2 | 2,3-dihydro-6,7-dimethyl-2-thioxo-1H-pteridin-4-one

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DU3A
Chemical Name:
2,3-dihydro-6,7-dimethyl-2-thioxo-1H-pteridin-4-one
CAS Number:
54030-51-2
Molecular Formula:
C8H8N4OS
Molecular Weight:
208.2403
MDL Number:
MFCD00023901
SMILES:
Sc1nc(O)c2c(n1)nc(c(n2)C)C
NSC Number:
45779
Properties
Computed Properties
 
Complexity:
283  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
XLogP3:
0.4  

Literature

Title: Discovery of HIV-1 integrase inhibitors: pharmacophore mapping, virtual screening, molecular docking, synthesis, and biological evaluation.

Journal: Chemical biology & drug design 20140201

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:54030-51-2 Molecular Formula|54030-51-2 MDL|54030-51-2 SMILES|54030-51-2 2,3-dihydro-6,7-dimethyl-2-thioxo-1H-pteridin-4-one