8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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![8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ad012270db50441393ae63aa6ab8ee73.png "8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione")
8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
329702-92-3
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Formula:
C21H35ClN4O3S
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Chemical Name:
8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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Synonyms:
8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione;STK700249;AKOS000717796;AKOS022192511;MCULE-6136303817;ST50239110;AG-690/37152108;8-(3-chloro-2-hydroxypropylthio)-7-dodecyl-3-methyl-1,3,7-trihydropurine-2,6-d ione
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CAS No:
8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-dodecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione Basic Attributes
459.0
458.2118399
Computed Properties
Molecular Weight:459.0
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:15
Exact Mass:458.2118399
Monoisotopic Mass:458.2118399
Topological Polar Surface Area:113
Heavy Atom Count:30
Complexity:542
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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