3-methyl-7-pentyl-8-(2-phenylethylsulfanyl)purine-2,6-dione
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3-methyl-7-pentyl-8-(2-phenylethylsulfanyl)purine-2,6-dione
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CAS No:
328068-83-3
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Formula:
C19H24N4O2S
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Chemical Name:
3-methyl-7-pentyl-8-(2-phenylethylsulfanyl)purine-2,6-dione
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Synonyms:
3-methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione;SMR000009277;3-Methyl-7-pentyl-8-phenethylsulfanyl-3,7-dihydro-purine-2,6-dione;MLS-0018316.0001;3-methyl-7-pentyl-8-(2-phenylethylsulfanyl)purine-2,6-dione;328068-83-3;MLS000035808;MLS002536257;MLS002699441;cid_647508;CHEMBL1595049;BDBM65729;CHEBI:92997;HMS2274L18;STK699875;ZINC12532275;AKOS000717921;MCULE-5481979041;NCGC00032778-02;7-amyl-3-methyl-8-(phenethylthio)xanthine;ST50235947;MLS-0018316.0002;AB00393525-09;Q27164729;Z239086746;3-methyl-7-pentyl-8-(2-phenylethylthio)-1,3,7-trihydropurine-2,6-dione;3-methyl-7-pentyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
3-methyl-7-pentyl-8-(2-phenylethylsulfanyl)purine-2,6-dione Basic Attributes
372.5 g/mol
372.16199719 g/mol
Computed Properties
Molecular Weight:372.5
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:372.16199719
Monoisotopic Mass:372.16199719
Topological Polar Surface Area:92.5
Heavy Atom Count:26
Complexity:498
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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