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Home > Imidazoles > 134333-64-5
134333-64-5 | 1-(4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-5-(1-METHYL-1H-IMIDAZOL-2-YL)-1H-PYRIMIDINE-2,4-DIONE
CAS No: 134333-64-5 Catalog No: AG007MCC MDL No:
Product Description
Catalog Number:
AG007MCC
Chemical Name:
1-(4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-5-(1-METHYL-1H-IMIDAZOL-2-YL)-1H-PYRIMIDINE-2,4-DIONE
CAS Number:
134333-64-5
Molecular Formula:
C13H16N4O5
Molecular Weight:
308.2899
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1-methylimidazol-2-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C13H16N4O5/c1-16-3-2-14-11(16)7-5-17(13(21)15-12(7)20)10-4-8(19)9(6-18)22-10/h2-3,5,8-10,18-19H,4,6H2,1H3,(H,15,20,21)/t8-,9+,10+/m0/s1
InChI Key:
LBTKTZHREVLEHD-IVZWLZJFSA-N
SMILES:
OCC1OC(CC1O)n1cc(c(=O)[nH]c1=O)c1nccn1C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
308.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.294g/mol
Monoisotopic Mass:
308.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
Literature
| Title | Journal |
|---|---|
| 5-(5-Bromothien-2-yl)-2'-deoxyuridine and 5-(5-chlorothien-2-yl)-2'-deoxyuridine are equipotent to (E)-5-(2-bromovinyl)-2'-deoxyuridine in the inhibition of herpes simplex virus type I replication. | Journal of medicinal chemistry 19910801 |
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