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6466-14-4 | 8-[(2-Pyridylmethyl)thio]-1,3-dimethyl-3,7-dihydro-2-thioxo-1H-purin-6-one
CAS No: 6466-14-4 Catalog No: AG00F3ZC MDL No:
Product Description
Catalog Number:
AG00F3ZC
Chemical Name:
8-[(2-Pyridylmethyl)thio]-1,3-dimethyl-3,7-dihydro-2-thioxo-1H-purin-6-one
CAS Number:
6466-14-4
IUPAC Name:
1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one
InChI:
InChI=1S/C13H13N5OS2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)21-7-8-5-3-4-6-14-8/h3-6H,7H2,1-2H3,(H,15,16)
InChI Key:
JEQRSEYZISVMFU-UHFFFAOYSA-N
UNII:
BA0N835VZI
NSC Number:
99663
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
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