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78097-06-0 | 2,4(1H,3H)-Pyrimidinedione, 1-[[2-(benzoyloxy)ethoxy]methyl]-5-methyl-
CAS No: 78097-06-0 Catalog No: AG005DMM MDL No:
Product Description
Catalog Number:
AG005DMM
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[[2-(benzoyloxy)ethoxy]methyl]-5-methyl-
CAS Number:
78097-06-0
Molecular Formula:
C15H16N2O5
Molecular Weight:
304.2979
IUPAC Name:
2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl benzoate
InChI:
InChI=1S/C15H16N2O5/c1-11-9-17(15(20)16-13(11)18)10-21-7-8-22-14(19)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,18,20)
InChI Key:
BVILVUXOHRXCCK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCCOCn1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.302g/mol
Monoisotopic Mass:
304.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Pyrimidine acyclic nucleosides, 1-[(2-Hydroxyethoxy)methyl]pyrimidines as candidate antivirals. | Journal of medicinal chemistry 19810601 |
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