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15986-32-0 | 6H-Purin-6-one, 1,2,3,7,8,9-hexahydro-2,8-dithioxo-
CAS No: 15986-32-0 Catalog No: AG001RH7 MDL No:
Product Description
Catalog Number:
AG001RH7
Chemical Name:
6H-Purin-6-one, 1,2,3,7,8,9-hexahydro-2,8-dithioxo-
CAS Number:
15986-32-0
Molecular Formula:
C5H4N4OS2
Molecular Weight:
200.2415
IUPAC Name:
2,8-bis(sulfanylidene)-7,9-dihydro-3H-purin-6-one
InChI:
InChI=1S/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChI Key:
NDSUZZIWNBVBKW-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c([nH]1)[nH]c(=S)[nH]c2=O
EC Number:
240-120-2
UNII:
D7JFZ7X71T
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.983g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
199.983g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Effect of an anti-thyroid drug, 2,8-Dimercapto-6-hydroxy purine on reproduction in male rats. | Pakistan journal of pharmaceutical sciences 20120401 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| A synthetic uric acid analog accelerates cutaneous wound healing in mice. | PloS one 20100101 |
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