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125056-73-7 | 2,4(1H,3H)-Pyrimidinedione, 6-(butylthio)-1-[(2-hydroxyethoxy)methyl]-5-methyl-
CAS No: 125056-73-7 Catalog No: AG000N2M MDL No:
Product Description
Catalog Number:
AG000N2M
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-(butylthio)-1-[(2-hydroxyethoxy)methyl]-5-methyl-
CAS Number:
125056-73-7
Molecular Formula:
C12H20N2O4S
Molecular Weight:
288.3632
IUPAC Name:
6-butylsulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C12H20N2O4S/c1-3-4-7-19-11-9(2)10(16)13-12(17)14(11)8-18-6-5-15/h15H,3-8H2,1-2H3,(H,13,16,17)
InChI Key:
TZNNJCUFROCSJV-UHFFFAOYSA-N
SMILES:
CCCCSc1c(C)c(=O)[nH]c(=O)n1COCCO
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.362g/mol
Monoisotopic Mass:
288.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| A new class of HIV-1-specific 6-substituted acyclouridine derivatives: synthesis and anti-HIV-1 activity of 5- or 6-substituted analogues of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT). | Journal of medicinal chemistry 19910101 |
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