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114199-19-8 | 9H-Imidazo[1,2-a]purin-9-one, 3,4-dihydro-3-[(2-hydroxyethoxy)methyl]-6-methyl-
CAS No: 114199-19-8 Catalog No: AG000ARK MDL No:
Product Description
Catalog Number:
AG000ARK
Chemical Name:
9H-Imidazo[1,2-a]purin-9-one, 3,4-dihydro-3-[(2-hydroxyethoxy)methyl]-6-methyl-
CAS Number:
114199-19-8
Molecular Formula:
C11H13N5O3
Molecular Weight:
263.2526
IUPAC Name:
3-(2-hydroxyethoxymethyl)-6-methyl-5H-imidazo[1,2-a]purin-9-one
InChI:
InChI=1S/C11H13N5O3/c1-7-4-16-10(18)8-9(14-11(16)13-7)15(5-12-8)6-19-3-2-17/h4-5,17H,2-3,6H2,1H3,(H,13,14)
InChI Key:
IKOQPTHMJTZXDR-UHFFFAOYSA-N
SMILES:
OCCOCn1cnc2c1[nH]c1nc(cn1c2=O)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.257g/mol
Monoisotopic Mass:
263.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Water molecules in the crystal structure of tricyclic acyclovir. | Acta crystallographica. Section C, Crystal structure communications 20010601 |
| Tricyclic analogues of acyclovir and ganciclovir. Influence of substituents in the heterocyclic moiety on the antiviral activity. | Journal of medicinal chemistry 19940916 |
| Synthesis and antiviral activity of 3-substituted derivatives of 3,9-dihydro-9-oxo-5H-imidazo[1,2-a]purines, tricyclic analogues of acyclovir and ganciclovir. | Journal of medicinal chemistry 19910801 |
| Synthesis and antiviral activity of novel N-substituted derivatives of acyclovir. | Journal of medicinal chemistry 19880701 |
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