8-[(2-chloroethyl)sulfanyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
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![8-[(2-chloroethyl)sulfanyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d2da1425c4cc4a95973fe0753c34c07e.png "8-[(2-chloroethyl)sulfanyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione")
8-[(2-chloroethyl)sulfanyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
332408-89-6
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Formula:
C16H25ClN4O2S
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Chemical Name:
8-[(2-chloroethyl)sulfanyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
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Synonyms:
8-[(2-chloroethyl)sulfanyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione;ZINC8397389;STK639602;AKOS000717914;AKOS005571138;MCULE-9375557054;ST50230235;AG-690/11042017;8-(2-chloroethylthio)-3-methyl-7-octyl-1,3,7-trihydropurine-2,6-dione;8-[(2-chloroethyl)sulfanyl]-6-hydroxy-3-methyl-7-octyl-3,7-dihydro-2H-purin-2-one
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CAS No:
8-[(2-chloroethyl)sulfanyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione Basic Attributes
372.9
372.1386749
Computed Properties
Molecular Weight:372.9
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:372.1386749
Monoisotopic Mass:372.1386749
Topological Polar Surface Area:92.5
Heavy Atom Count:24
Complexity:440
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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