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131194-12-2 | 2,4(1H,3H)-PYRIMIDINEDIONE, 6-BENZOYL-1-[(2-HYDROXYETHOXY)METHYL]-5-METHYL-
CAS No: 131194-12-2 Catalog No: AG000VOM MDL No:
Product Description
Catalog Number:
AG000VOM
Chemical Name:
2,4(1H,3H)-PYRIMIDINEDIONE, 6-BENZOYL-1-[(2-HYDROXYETHOXY)METHYL]-5-METHYL-
CAS Number:
131194-12-2
Molecular Formula:
C15H16N2O5
Molecular Weight:
304.2979
IUPAC Name:
6-benzoyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C15H16N2O5/c1-10-12(13(19)11-5-3-2-4-6-11)17(9-22-8-7-18)15(21)16-14(10)20/h2-6,18H,7-9H2,1H3,(H,16,20,21)
InChI Key:
MNXHOTLNIMLCRX-UHFFFAOYSA-N
SMILES:
OCCOCn1c(=O)[nH]c(=O)c(c1C(=O)c1ccccc1)C
Properties
Complexity:
494
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:
2
Isotope Atom Count:
0
Molecular Weight:
304.302g/mol
Monoisotopic Mass:
304.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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