8-ethylsulfanyl-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
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8-ethylsulfanyl-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
structure -
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CAS No:
332103-50-1
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Formula:
C18H22N4O4S
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Chemical Name:
8-ethylsulfanyl-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
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Synonyms:
332103-50-1;8-(ethylsulfanyl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione;SMR000010032;8-Ethylsulfanyl-7-(2-hydroxy-3-o-tolyloxy-propyl)-3-methyl-3,7-dihydro-purine-2,6-dione;Oprea1_035189;Oprea1_663513;MLS000030656;MLS002535060;CHEMBL1342976;HMS2402K17;STK833784;AKOS000577973;AKOS024305004;MCULE-9529646732;NCGC00025383-02;ST50246578;AB00137701-02;AB00137701-10;AG-690/13701499;SR-01000443044;SR-01000443044-1;F0403-0002;8-(ethylthio)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione;8-(ethylthio)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione;8-ethylthio-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-1,3,7-trihydropur ine-2,6-dione
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CAS No:
8-ethylsulfanyl-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione Basic Attributes
390.5 g/mol
390.13617637 g/mol
Computed Properties
Molecular Weight:390.5
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:390.13617637
Monoisotopic Mass:390.13617637
Topological Polar Surface Area:122
Heavy Atom Count:27
Complexity:552
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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