1,3-dimethyl-2,6-dioxo-7-[4-(2-sulfosulfanylethylamino)butyl]purine
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![1,3-dimethyl-2,6-dioxo-7-[4-(2-sulfosulfanylethylamino)butyl]purine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/059f5a6f3fbb439e83f91333d0a34700.png "1,3-dimethyl-2,6-dioxo-7-[4-(2-sulfosulfanylethylamino)butyl]purine")
1,3-dimethyl-2,6-dioxo-7-[4-(2-sulfosulfanylethylamino)butyl]purine
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CAS No:
38920-53-5
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Formula:
C13H21N5O5S2
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Chemical Name:
1,3-dimethyl-2,6-dioxo-7-[4-(2-sulfosulfanylethylamino)butyl]purine
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Synonyms:
38920-53-5;BRN 1183428;2-((4-(1,3-Dimethyl-2,6-dioxopurin-7-yl)butyl)amino)ethanethiol, hydrogen sulfate (ester);Ethanethiol, 2-((4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl)amino)-, hydrogen sulfate (ester);s-(2-{[4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)butyl]amino}ethyl) hydrogen sulfurothioate;DTXSID60959747;Thiosulfuric acid hydrogen S-[2-[[4-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)butyl]amino]ethyl] ester
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CAS No:
1,3-dimethyl-2,6-dioxo-7-[4-(2-sulfosulfanylethylamino)butyl]purine Basic Attributes
391.5 g/mol
391.09841113 g/mol
Computed Properties
Molecular Weight:391.5
XLogP3:-3.2
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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