1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione
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1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione
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CAS No:
65029-11-0
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Formula:
C12H18N4O2
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Chemical Name:
1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione
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Synonyms:
(DL)-3,7-dihydro-1,8-dimethyl-3-(2-methylbutyl)-1H-purine-2,6-dione;3,7-dihydro-1,8-dimethyl-3-(2-methylbutyl)-1H-purine-2,6-dione;CK 0383;CK-0383;verofylline;VEROFYLLINE;66172-75-6;1,8-Dimethyl-3-(2-methyl-1-butyl)xanthine;CK-0383;1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione;3,7-Dihydro-1,8-dimethyl-3-(2-methylbutyl)-1H-purine-2,6-dione;65029-11-0;Verofilina;Verofyllinum;1,8-dimethyl-3-(2-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione;Verofilina [INN-Spanish];Verofylline [USAN:INN];Verofyllinum [INN-Latin];CK 0383;Verofylline (USAN/INN);1H-Purine-2,6-dione, 3,7-dihydro-1,8-dimethyl-3-(2-methylbutyl)-;(+-)-1,8-Dimethyl-3-(2-methybutyl)xanthine;SCHEMBL636856;CHEMBL2105599;(R,S)-1,2,3,6-Tetrahydro-1,8-dimethyl-3-(2-(methylbutyl)-2,6-purindion;D06291;Q27252489;1H-Purine-2,6-dione, 3,7-dihydro-1,8-dimethyl-3-(2-methylbutyl)-, (+-)-
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CAS No:
Computed Properties
Molecular Weight:250.30
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:250.14297583
Monoisotopic Mass:250.14297583
Topological Polar Surface Area:69.3
Heavy Atom Count:18
Complexity:360
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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