7-ethyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione
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7-ethyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione
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CAS No:
189149-72-2
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Formula:
C16H16N4O3S
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Chemical Name:
7-ethyl-3-methyl-8-phenacylsulfanylpurine-2,6-dione
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Synonyms:
7-ethyl-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione;189149-72-2;Oprea1_246666;ZINC4457662;STK833861;AKOS005623491;MCULE-8282604114;VU0607876-1;F3260-0616;Purine-2,6(1H,3H)-dione, 8-benzoylmethylthio-7-ethyl-3-methyl-;7-Ethyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione;7-Ethyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione #
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CAS No:
Computed Properties
Molecular Weight:344.4
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:344.09431156
Monoisotopic Mass:344.09431156
Topological Polar Surface Area:110
Heavy Atom Count:24
Complexity:524
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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