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132885-30-4 | 4(1H)-Pyrimidinone, 2,3-dihydro-1-[(2-hydroxyethoxy)methyl]-5-methyl-2-thioxo-
CAS No: 132885-30-4 Catalog No: AG0011BV MDL No:
Product Description
Catalog Number:
AG0011BV
Chemical Name:
4(1H)-Pyrimidinone, 2,3-dihydro-1-[(2-hydroxyethoxy)methyl]-5-methyl-2-thioxo-
CAS Number:
132885-30-4
Molecular Formula:
C8H12N2O3S
Molecular Weight:
216.2575
IUPAC Name:
1-(2-hydroxyethoxymethyl)-5-methyl-2-sulfanylidenepyrimidin-4-one
InChI:
InChI=1S/C8H12N2O3S/c1-6-4-10(5-13-3-2-11)8(14)9-7(6)12/h4,11H,2-3,5H2,1H3,(H,9,12,14)
InChI Key:
OZWBJPXIEADLOZ-UHFFFAOYSA-N
SMILES:
Cc1cn(COCCO)c(=S)[nH]c1=O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.255g/mol
Monoisotopic Mass:
216.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Activity of acyclic 6-(phenylselenenyl)pyrimidine nucleosides against human immunodeficiency viruses in primary lymphocytes. | Journal of medicinal chemistry 19911101 |
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