8-anilino-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
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8-anilino-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
structure -
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CAS No:
78960-47-1
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Formula:
C16H19N5O4
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Chemical Name:
8-anilino-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
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Synonyms:
Theophylline,8-anilino-7-(2,3-dihydroxypropyl); 8-Anilino-7-(2,3-dihydroxypropyl)theophylline; 7-(2,3-dihydroxy-1-propyl)-8-phenylaminotheophylline; 8-(PHENYLAMINO)-7-(2,3-DIHYDROXYPROPYL)THEOPHYLLINE;
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CAS No:
8-anilino-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione Basic Attributes
345.35300
345.14370410
Computed Properties
Molecular Weight:345.35
XLogP3:0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:345.14370410
Monoisotopic Mass:345.14370410
Topological Polar Surface Area:111
Heavy Atom Count:25
Complexity:513
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 8-anilino-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
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