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Home > Other Building Blocks > 160516-05-2
160516-05-2 | 9H-Purine, 9-(phenylmethyl)-6-(2-thienyl)-
CAS No: 160516-05-2 Catalog No: AG001RZ8 MDL No:
Product Description
Catalog Number:
AG001RZ8
Chemical Name:
9H-Purine, 9-(phenylmethyl)-6-(2-thienyl)-
CAS Number:
160516-05-2
Molecular Formula:
C16H12N4S
Molecular Weight:
292.3583
IUPAC Name:
9-benzyl-6-thiophen-2-ylpurine
InChI:
InChI=1S/C16H12N4S/c1-2-5-12(6-3-1)9-20-11-19-15-14(13-7-4-8-21-13)17-10-18-16(15)20/h1-8,10-11H,9H2
InChI Key:
PAAXDEJAQCUKRO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cn1cnc2c1ncnc2c1cccs1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.36g/mol
Monoisotopic Mass:
292.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial activity of 6-arylpurines: the requirements for the N-9 substituent in active antimycobacterial purines. | Journal of medicinal chemistry 20020314 |
| 9-Benzylpurines with inhibitory activity against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20000605 |
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