8-[(4-chlorobenzyl)sulfanyl]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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![8-[(4-chlorobenzyl)sulfanyl]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/08b0ecfcf1284b48abce6ce75dc49f25.png "8-[(4-chlorobenzyl)sulfanyl]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione")
8-[(4-chlorobenzyl)sulfanyl]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
328068-88-8
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Formula:
C19H23ClN4O2S
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Chemical Name:
8-[(4-chlorobenzyl)sulfanyl]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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Synonyms:
8-[(4-chlorobenzyl)sulfanyl]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione;ZINC2060828;STK805693;AKOS000717640;MCULE-7525889970;ST50241253;AG-690/12244852;8-((4-CHLOROBENZYL)THIO)-7-HEXYL-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE;8-[(4-chlorophenyl)methylthio]-7-hexyl-3-methyl-1,3,7-trihydropurine-2,6-dione
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CAS No:
8-[(4-chlorobenzyl)sulfanyl]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione Basic Attributes
406.92952
406.123
Computed Properties
Molecular Weight:406.9
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:406.1230249
Monoisotopic Mass:406.1230249
Topological Polar Surface Area:92.5
Heavy Atom Count:27
Complexity:530
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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