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152423-06-8 | Pyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(1H)-one
CAS No: 152423-06-8 Catalog No: AG006U2E MDL No:
Product Description
Catalog Number:
AG006U2E
Chemical Name:
Pyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(1H)-one
CAS Number:
152423-06-8
Molecular Formula:
C7H4N4OS
Molecular Weight:
192.1979
IUPAC Name:
10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
InChI:
InChI=1S/C7H4N4OS/c12-6-4-3-8-10-5(4)9-7-11(6)1-2-13-7/h1-3H,(H,8,10)
InChI Key:
SUIKOQQKAJOJIZ-UHFFFAOYSA-N
SMILES:
O=c1c2cn[nH]c2nc2n1ccs2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.196g/mol
Monoisotopic Mass:
192.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of pyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4-one derivatives: in silico approach. | Journal of enzyme inhibition and medicinal chemistry 20101001 |
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