8-(benzylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
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8-(benzylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
331672-00-5
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Formula:
C22H30N4O2S
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Chemical Name:
8-(benzylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
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Synonyms:
8-(benzylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione;ZINC8396757;STK529221;AKOS000717491;MCULE-8522836235;ST50227320;AG-690/10289028;3-methyl-7-nonyl-8-(phenylmethylthio)-1,3,7-trihydropurine-2,6-dione;331672-00-5
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CAS No:
8-(benzylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione Basic Attributes
414.5642
414.209
Computed Properties
Molecular Weight:414.6
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:414.20894739
Monoisotopic Mass:414.20894739
Topological Polar Surface Area:92.5
Heavy Atom Count:29
Complexity:541
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 8-(benzylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
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