7-(2-benzylsulfinylethyl)-1,3-dimethylpurine-2,6-dione
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7-(2-benzylsulfinylethyl)-1,3-dimethylpurine-2,6-dione
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CAS No:
3810-41-1
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Formula:
C16H18N4O3S
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Chemical Name:
7-(2-benzylsulfinylethyl)-1,3-dimethylpurine-2,6-dione
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Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-((phenylmethyl)sulfinyl)ethyl); 7-(2-(Benzylsulfinyl)ethyl)theophylline; Theophylline,7-(2-(benzylsulfinyl)ethyl); 1,3-Dimethyl-7-(2-phenylmethansulfinyl-aethyl)-3,7-dihydro-purin-2,6-dion; 1,3-dimethyl-7-(2-phenylmethanesulfinyl-ethyl)-3,7-dihydro-purine-2,6-dione;
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CAS No:
7-(2-benzylsulfinylethyl)-1,3-dimethylpurine-2,6-dione Basic Attributes
346.40400
346.10996162 g/mol
Computed Properties
Molecular Weight:346.4
XLogP3:0.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:346.10996162
Monoisotopic Mass:346.10996162
Topological Polar Surface Area:94.7
Heavy Atom Count:24
Complexity:524
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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