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146404-37-7 | 7H-8,9-dihydro-(1,2,3)triazolo(4',5'-4,5)pyrimido(6,1-b)(1,3)thiazine-5(1H)-one
CAS No: 146404-37-7 Catalog No: AG00B1JT MDL No:
Product Description
Catalog Number:
AG00B1JT
Chemical Name:
7H-8,9-dihydro-(1,2,3)triazolo(4',5'-4,5)pyrimido(6,1-b)(1,3)thiazine-5(1H)-one
CAS Number:
146404-37-7
IUPAC Name:
13-thia-3,4,5,7,9-pentazatricyclo[7.4.0.02,6]trideca-1,4,6-trien-8-one
InChI:
InChI=1S/C7H7N5OS/c13-7-8-5-4(9-11-10-5)6-12(7)2-1-3-14-6/h1-3H2,(H,8,9,10,13)
InChI Key:
TVYQLGHZPCLRIJ-UHFFFAOYSA-N
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.227g/mol
Monoisotopic Mass:
209.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of new imidazole, pyrimidine, and purine derivatives and analogs as inhibitors of xanthine oxidase. | Journal of medicinal chemistry 19960621 |
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