7-benzyl-1-hydroxy-8-methylsulfanyl-3H-purine-2,6-dione
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7-benzyl-1-hydroxy-8-methylsulfanyl-3H-purine-2,6-dione
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CAS No:
1091-72-1
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Formula:
C13H12N4O3S
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Chemical Name:
7-benzyl-1-hydroxy-8-methylsulfanyl-3H-purine-2,6-dione
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Synonyms:
1091-72-1;NSC88198;MLS002694821;7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione;NSC 88198;7-benzyl-1-hydroxy-8-methylsulfanyl-3H-purine-2,6-dione;NCIOpen2_009478;CHEMBL1725400;DTXSID40148814;HMS3085F21;NSC-88198;ZINC13284846;SMR001560740
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CAS No:
7-benzyl-1-hydroxy-8-methylsulfanyl-3H-purine-2,6-dione Basic Attributes
304.33 g/mol
304.06301143 g/mol
88198
DTXSID40148814
Computed Properties
Molecular Weight:304.33
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:304.06301143
Monoisotopic Mass:304.06301143
Topological Polar Surface Area:113
Heavy Atom Count:21
Complexity:430
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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