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6493-44-3 | 8-[(3-Pyridylmethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one
CAS No: 6493-44-3 Catalog No: AG00F3XT MDL No:
Product Description
Catalog Number:
AG00F3XT
Chemical Name:
8-[(3-Pyridylmethyl)thio]-3,7-dihydro-1,3-dimethyl-6-thioxo-1H-purin-2-one
CAS Number:
6493-44-3
IUPAC Name:
1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
InChI:
InChI=1S/C13H13N5OS2/c1-17-10-9(11(20)18(2)13(17)19)15-12(16-10)21-7-8-4-3-5-14-6-8/h3-6H,7H2,1-2H3,(H,15,16)
InChI Key:
QWBLDCDLJHPULD-UHFFFAOYSA-N
UNII:
17IL69JG0P
NSC Number:
97999
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.401g/mol
Monoisotopic Mass:
319.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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