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132774-35-7 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2-methoxyethoxy)methyl]-5-methyl-6-(phenylthio)-
CAS No: 132774-35-7 Catalog No: AG001156 MDL No:
Product Description
Catalog Number:
AG001156
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2-methoxyethoxy)methyl]-5-methyl-6-(phenylthio)-
CAS Number:
132774-35-7
Molecular Formula:
C15H18N2O4S
Molecular Weight:
322.3794
IUPAC Name:
1-(2-methoxyethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione
InChI:
InChI=1S/C15H18N2O4S/c1-11-13(18)16-15(19)17(10-21-9-8-20-2)14(11)22-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,16,18,19)
InChI Key:
IDVZDMLDMKWDKU-UHFFFAOYSA-N
SMILES:
COCCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
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:
1
Isotope Atom Count:
0
Molecular Weight:
322.379g/mol
Monoisotopic Mass:
322.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Design and synthesis of novel inhibitors of HIV-1 reverse transcriptase. | Journal of medicinal chemistry 19950609 |
| Synthesis and antiviral activity of deoxy analogs of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) as potent and selective anti-HIV-1 agents. | Journal of medicinal chemistry 19921211 |
| 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 |
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