butyl 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)acetate
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butyl 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)acetate
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CAS No:
299421-56-0
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Formula:
C19H21BrN4O4
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Chemical Name:
butyl 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)acetate
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Synonyms:
SMR000001321;MLS000070487;(7-Benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetic acid butyl ester;regid844012;MLS000880166;CHEMBL1359750;HMS2359C21;ZINC6530407;STL322688;AKOS000576710;MCULE-8479686464;ST50221227;SR-01000368907;SR-01000368907-1;butyl (7-benzyl-8-bromo-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate;butyl 2-[8-bromo-3-methyl-2,6-dioxo-7-benzyl-1,3,7-trihydropurinyl]acetate;299421-56-0
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CAS No:
butyl 2-(7-benzyl-8-bromo-3-methyl-2,6-dioxopurin-1-yl)acetate Basic Attributes
449.3 g/mol
448.07462 g/mol
Computed Properties
Molecular Weight:449.3
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:448.07462
Monoisotopic Mass:448.07462
Topological Polar Surface Area:84.7
Heavy Atom Count:28
Complexity:599
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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