7-benzyl-8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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![7-benzyl-8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f5636e85744147a79e644e0abaaa5f3e.png "7-benzyl-8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione")
7-benzyl-8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
structure -
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CAS No:
301354-26-7
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Formula:
C17H17ClN4O2S
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Chemical Name:
7-benzyl-8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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Synonyms:
ZINC12342772;AKOS000718238;ST50224315;AB00094210-01;AG-690/09380006;7-benzyl-8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione;8-((2E)-3-chlorobut-2-enylthio)-3-methyl-7-benzyl-1,3,7-trihydropurine-2,6-dio ne
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CAS No:
7-benzyl-8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione Basic Attributes
376.86048
376.076
Computed Properties
Molecular Weight:376.9
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:376.0760747
Monoisotopic Mass:376.0760747
Topological Polar Surface Area:92.5
Heavy Atom Count:25
Complexity:553
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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