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121749-87-9 | 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-[(2-hydroxyethoxy)methyl]-6-iodo-
CAS No: 121749-87-9 Catalog No: AG0015PS MDL No:
Product Description
Catalog Number:
AG0015PS
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-[(2-hydroxyethoxy)methyl]-6-iodo-
CAS Number:
121749-87-9
Molecular Formula:
C7H8BrIN2O4
Molecular Weight:
390.9579
IUPAC Name:
5-bromo-1-(2-hydroxyethoxymethyl)-6-iodopyrimidine-2,4-dione
InChI:
InChI=1S/C7H8BrIN2O4/c8-4-5(9)11(3-15-2-1-12)7(14)10-6(4)13/h12H,1-3H2,(H,10,13,14)
InChI Key:
YAWJAJCLFDAVNE-UHFFFAOYSA-N
SMILES:
OCCOCn1c(I)c(Br)c(=O)[nH]c1=O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.871g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.959g/mol
Monoisotopic Mass:
389.871g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| A novel lead for specific anti-HIV-1 agents: 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine. | Journal of medicinal chemistry 19891201 |
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