7-(3-hydroxybutan-2-yl)-1,3-dimethylpurine-2,6-dione
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7-(3-hydroxybutan-2-yl)-1,3-dimethylpurine-2,6-dione
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CAS No:
41011-03-4
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Formula:
C11H16N4O3
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Chemical Name:
7-(3-hydroxybutan-2-yl)-1,3-dimethylpurine-2,6-dione
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Synonyms:
7-(3-hydroxybutan-2-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-1-methylpropyl); Theophylline,7-(2-hydroxy-1-methylpropyl); 3,7-Dihydro-1,3-dimethyl-7-(2-hydroxy-1-methylpropyl)-1H-purine-2,6-dione;
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CAS No:
Computed Properties
Molecular Weight:252.27
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:252.12224039
Monoisotopic Mass:252.12224039
Topological Polar Surface Area:78.7
Heavy Atom Count:18
Complexity:375
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 7-(3-hydroxybutan-2-yl)-1,3-dimethylpurine-2,6-dione
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