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176515-40-5 | 9H-Purine, 6-chloro-2-phenyl-9-(phenylmethyl)-
CAS No: 176515-40-5 Catalog No: AG0024Q7 MDL No:
Product Description
Catalog Number:
AG0024Q7
Chemical Name:
9H-Purine, 6-chloro-2-phenyl-9-(phenylmethyl)-
CAS Number:
176515-40-5
Molecular Formula:
C18H13ClN4
Molecular Weight:
320.7756
IUPAC Name:
9-benzyl-6-chloro-2-phenylpurine
InChI:
InChI=1S/C18H13ClN4/c19-16-15-18(22-17(21-16)14-9-5-2-6-10-14)23(12-20-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2
InChI Key:
ABGRSMRFORNOOE-UHFFFAOYSA-N
SMILES:
Clc1nc(nc2c1ncn2Cc1ccccc1)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.78g/mol
Monoisotopic Mass:
320.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| 9-Benzylpurines with inhibitory activity against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20000605 |
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