8-(benzylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
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8-(benzylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
331236-37-4
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Formula:
C21H28N4O2S
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Chemical Name:
8-(benzylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
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Synonyms:
8-(benzylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione;ZINC8434863;STK529276;AKOS000718056;MCULE-4792752546;ST50224297;AG-690/36276053;3-methyl-7-octyl-8-(phenylmethylthio)-1,3,7-trihydropurine-2,6-dione;331236-37-4
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CAS No:
8-(benzylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione Basic Attributes
400.53762
400.193
Computed Properties
Molecular Weight:400.5
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:400.19329732
Monoisotopic Mass:400.19329732
Topological Polar Surface Area:92.5
Heavy Atom Count:28
Complexity:527
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 8-(benzylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
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