8-bromo-7-[2-(4-ethylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dion e
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8-bromo-7-[2-(4-ethylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dion e
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CAS No:
96885-28-8
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Formula:
C17H17BrN4O3
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Chemical Name:
8-bromo-7-[2-(4-ethylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dion e
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Synonyms:
BRN 5633841;p-Ethylbenzoylmethyl-8-bromotheophylline;1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-1,3-dimethyl-7-(2-(4-ethylphenyl)-2-oxoethyl)-;3,7-Dihydro-8-bromo-1,3-dimethyl-7-(2-(4-ethylphenyl)-2-oxoethyl)-1H-purine-2,6-dione;CTK5H8998;DTXSID00242605;LS-126592;8-BROMO-7-[2-(4-ETHYLPHENYL)-2-OXO-ETHYL]-1,3-DIMETHYL-PURINE-2,6-DION E
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CAS No:
8-bromo-7-[2-(4-ethylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dion e Basic Attributes
405.252
404.048
DTXSID00242605
2933990090
Computed Properties
Molecular Weight:405.2
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:404.04840
Monoisotopic Mass:404.04840
Topological Polar Surface Area:75.5
Heavy Atom Count:25
Complexity:564
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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8-bromo-7-[2-(4-ethylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dion e
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