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889673-61-4 | 1H-Purine, 2,6-bis(4-methoxyphenyl)-
CAS No: 889673-61-4 Catalog No: AG0045Y4 MDL No:
Product Description
Catalog Number:
AG0045Y4
Chemical Name:
1H-Purine, 2,6-bis(4-methoxyphenyl)-
CAS Number:
889673-61-4
Molecular Formula:
C19H16N4O2
Molecular Weight:
332.3559
IUPAC Name:
2,6-bis(4-methoxyphenyl)-7H-purine
InChI:
InChI=1S/C19H16N4O2/c1-24-14-7-3-12(4-8-14)16-17-19(21-11-20-17)23-18(22-16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H,20,21,22,23)
InChI Key:
ZGJSQGNKCRURQW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2ncnc2c([nH]1)c1ccc(cc1)OC
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.363g/mol
Monoisotopic Mass:
332.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 2,6-disubstituted and 2,6,8-trisubstituted purines as adenosine receptor antagonists. | Journal of medicinal chemistry 20060518 |
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