(7-benzyl-8-methylsulfanyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate
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(7-benzyl-8-methylsulfanyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate
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CAS No:
1254-16-6
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Formula:
C19H16N4O5S2
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Chemical Name:
(7-benzyl-8-methylsulfanyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate
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Synonyms:
1-benzenesulfonyloxy-7-benzyl-8-methylsulfanyl-3,7-dihydro-purine-2,6-dione; 8-Methylmercapto-1-benzolsulfonyloxy-7-benzyl-xanthin;
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CAS No:
(7-benzyl-8-methylsulfanyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate Basic Attributes
444.48400
444.05621197 g/mol
88197
DTXSID00154759
Computed Properties
Molecular Weight:444.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:444.05621197
Monoisotopic Mass:444.05621197
Topological Polar Surface Area:144
Heavy Atom Count:30
Complexity:747
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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