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202135-85-1 | 8H-Purine-8-thione, 6-amino-7,9-dihydro-9-(phenylmethyl)-
CAS No: 202135-85-1 Catalog No: AG002838 MDL No:MFCD03448675
Product Description
Catalog Number:
AG002838
Chemical Name:
8H-Purine-8-thione, 6-amino-7,9-dihydro-9-(phenylmethyl)-
CAS Number:
202135-85-1
Molecular Formula:
C12H11N5S
Molecular Weight:
257.3142
MDL Number:
MFCD03448675
IUPAC Name:
6-amino-9-benzyl-7H-purine-8-thione
InChI:
InChI=1S/C12H11N5S/c13-10-9-11(15-7-14-10)17(12(18)16-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,18)(H2,13,14,15)
InChI Key:
DFNICJVBWCXEOY-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1[nH]c(=S)n2Cc1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.315g/mol
Monoisotopic Mass:
257.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Discovery of 8-hydroxyadenines as a novel type of interferon inducer. | Journal of medicinal chemistry 20021205 |
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