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132774-44-8 | 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-
CAS No: 132774-44-8 Catalog No: AG001152 MDL No:
Product Description
Catalog Number:
AG001152
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-
CAS Number:
132774-44-8
Molecular Formula:
C15H18N2O4S
Molecular Weight:
322.3794
IUPAC Name:
5-ethyl-1-(2-hydroxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
InChI:
InChI=1S/C15H18N2O4S/c1-2-12-13(19)16-15(20)17(10-21-9-8-18)14(12)22-11-6-4-3-5-7-11/h3-7,18H,2,8-10H2,1H3,(H,16,19,20)
InChI Key:
KVWORNUPJJABFD-UHFFFAOYSA-N
SMILES:
CCc1c(=O)[nH]c(=O)n(c1Sc1ccccc1)COCCO
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.379g/mol
Monoisotopic Mass:
322.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Selective non-nucleoside HIV-1 reverse transcriptase inhibitors. New 2,3-dihydrothiazolo[2,3-a]isoindol-5(9bH)-ones and related compounds with anti-HIV-1 activity. | Journal of medicinal chemistry 19930820 |
| Structure-activity relationships of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine analogues: effect of substitutions at the C-6 phenyl ring and at the C-5 position on anti-HIV-1 activity. | Journal of medicinal chemistry 19920124 |
| Specific anti-HIV-1 'acyclonucleosides' which cannot be phosphorylated: synthesis of some deoxy analogues of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine. | Journal of medicinal chemistry 19910401 |
| Potent and selective inhibition of human immunodeficiency virus type 1 (HIV-1) by 5-ethyl-6-phenylthiouracil derivatives through their interaction with the HIV-1 reverse transcriptase. | Proceedings of the National Academy of Sciences of the United States of America 19910315 |
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