200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 137897-71-3
137897-71-3 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-[(3-hydroxyphenyl)thio]-5-methyl-
CAS No: 137897-71-3 Catalog No: AG00142M MDL No:
Product Description
Catalog Number:
AG00142M
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-[(3-hydroxyphenyl)thio]-5-methyl-
CAS Number:
137897-71-3
Molecular Formula:
C14H16N2O5S
Molecular Weight:
324.3522
IUPAC Name:
1-(2-hydroxyethoxymethyl)-6-(3-hydroxyphenyl)sulfanyl-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C14H16N2O5S/c1-9-12(19)15-14(20)16(8-21-6-5-17)13(9)22-11-4-2-3-10(18)7-11/h2-4,7,17-18H,5-6,8H2,1H3,(H,15,19,20)
InChI Key:
UPUZXWXCBFZFMI-UHFFFAOYSA-N
SMILES:
OCCOCn1c(=O)[nH]c(=O)c(c1Sc1cccc(c1)O)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.351g/mol
Monoisotopic Mass:
324.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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.