200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 125056-64-6
125056-64-6 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-[(3-methoxyphenyl)thio]-5-methyl-
CAS No: 125056-64-6 Catalog No: AG000N1M MDL No:
Product Description
Catalog Number:
AG000N1M
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-[(3-methoxyphenyl)thio]-5-methyl-
CAS Number:
125056-64-6
Molecular Formula:
C15H18N2O5S
Molecular Weight:
338.3788
IUPAC Name:
1-(2-hydroxyethoxymethyl)-6-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C15H18N2O5S/c1-10-13(19)16-15(20)17(9-22-7-6-18)14(10)23-12-5-3-4-11(8-12)21-2/h3-5,8,18H,6-7,9H2,1-2H3,(H,16,19,20)
InChI Key:
VDJSZCISAWKVQA-UHFFFAOYSA-N
SMILES:
OCCOCn1c(=O)[nH]c(=O)c(c1Sc1cccc(c1)OC)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.094g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.378g/mol
Monoisotopic Mass:
338.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| 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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.