3,7-dimethyl-2,6-dioxo-1-[4-(2-sulfosulfanylethylamino)butyl]purine
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![3,7-dimethyl-2,6-dioxo-1-[4-(2-sulfosulfanylethylamino)butyl]purine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2d44723a9645451a8f1849e213e4dace.png "3,7-dimethyl-2,6-dioxo-1-[4-(2-sulfosulfanylethylamino)butyl]purine")
3,7-dimethyl-2,6-dioxo-1-[4-(2-sulfosulfanylethylamino)butyl]purine
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CAS No:
38920-54-6
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Formula:
C13H21N5O5S2
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Chemical Name:
3,7-dimethyl-2,6-dioxo-1-[4-(2-sulfosulfanylethylamino)butyl]purine
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Synonyms:
38920-54-6;BRN 1182508;2-((4-(3,7-Dimethyl-2,6-dioxopurin-1-yl)butyl)amino)ethanethiol, hydrogen sulfate (ester);Ethanethiol, 2-((4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butyl)amino)-, hydrogen sulfate (ester);s-(2-{[4-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-1-yl)butyl]amino}ethyl) hydrogen sulfurothioate;DTXSID20959748;Thiosulfuric acid hydrogen S-[2-[[4-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)butyl]amino]ethyl] ester
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CAS No:
3,7-dimethyl-2,6-dioxo-1-[4-(2-sulfosulfanylethylamino)butyl]purine Basic Attributes
391.5 g/mol
391.09841113 g/mol
Computed Properties
Molecular Weight:391.5
XLogP3:-2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:391.09841113
Monoisotopic Mass:391.09841113
Topological Polar Surface Area:159
Heavy Atom Count:25
Complexity:596
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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