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1928-77-4 | 7H-Purine, 6-chloro-7-(phenylmethyl)-
CAS No: 1928-77-4 Catalog No: AG002GBR MDL No:
Product Description
Catalog Number:
AG002GBR
Chemical Name:
7H-Purine, 6-chloro-7-(phenylmethyl)-
CAS Number:
1928-77-4
Molecular Formula:
C12H9ClN4
Molecular Weight:
244.6797
IUPAC Name:
7-benzyl-6-chloropurine
InChI:
InChI=1S/C12H9ClN4/c13-11-10-12(15-7-14-11)16-8-17(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key:
QOJVQOWYMWBZNC-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1n(cn2)Cc1ccccc1
NSC Number:
25717
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.682g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and biological testing of purine derivatives as potential ATP-competitive kinase inhibitors. | Journal of medicinal chemistry 20050210 |
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