8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
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![8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6a1235471ee04ed7a19fa6732f36b914.png "8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione")
8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
332149-59-4
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Formula:
C18H19ClN4O2S
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Chemical Name:
8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
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Synonyms:
8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione;8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
8-[(3-chloro-2-butenyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione Basic Attributes
390.88706
390.092
Computed Properties
Molecular Weight:390.9
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:390.0917247
Monoisotopic Mass:390.0917247
Topological Polar Surface Area:92.5
Heavy Atom Count:26
Complexity:567
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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