8-heptylsulfanyl-3,7-dimethylpurine-2,6-dione
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8-heptylsulfanyl-3,7-dimethylpurine-2,6-dione
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CAS No:
324539-22-2
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Formula:
C14H22N4O2S
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Chemical Name:
8-heptylsulfanyl-3,7-dimethylpurine-2,6-dione
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Synonyms:
NSC81497;NSC-81497;STK646487;ZINC33353091;AKOS001601693;AKOS005579078;CCG-104007;MCULE-7479927966;324539-22-2;8-(heptylthio)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione;8-(heptylsulfanyl)-6-hydroxy-3,7-dimethyl-3,7-dihydro-2H-purin-2-one
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CAS No:
8-heptylsulfanyl-3,7-dimethylpurine-2,6-dione Basic Attributes
310.42 g/mol
310.14634713 g/mol
81497
Computed Properties
Molecular Weight:310.42
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:310.14634713
Monoisotopic Mass:310.14634713
Topological Polar Surface Area:92.5
Heavy Atom Count:21
Complexity:393
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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