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132885-31-5

132885-31-5 | 4(1H)-Pyrimidinone, 2,3-dihydro-1-[(2-hydroxyethoxy)methyl]-2-thioxo-

CAS No: 132885-31-5 Catalog No: AG0011BU MDL No:

Product Description

Catalog Number:
AG0011BU
Chemical Name:
4(1H)-Pyrimidinone, 2,3-dihydro-1-[(2-hydroxyethoxy)methyl]-2-thioxo-
CAS Number:
132885-31-5
Molecular Formula:
C7H10N2O3S
Molecular Weight:
202.2309
IUPAC Name:
1-(2-hydroxyethoxymethyl)-2-sulfanylidenepyrimidin-4-one
InChI:
InChI=1S/C7H10N2O3S/c10-3-4-12-5-9-2-1-6(11)8-7(9)13/h1-2,10H,3-5H2,(H,8,11,13)
InChI Key:
UFMUURWJUYDJSG-UHFFFAOYSA-N
SMILES:
OCCOCn1ccc(=O)[nH]c1=S

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.041g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
202.228g/mol
Monoisotopic Mass:
202.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

Literature

Title Journal
Inhibition of hepatitis B virus (HBV) replication by pyrimidines bearing an acyclic moiety: effect on wild-type and mutant HBV. Journal of medicinal chemistry 20060323
Characterization of the effects of two polysulfonated distamycin A derivatives, PNU145156E and PNU153429, on HIV type 1 Tat protein. AIDS research and human retroviruses 19981120

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