8-[(2-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
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![8-[(2-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c8b15d9afe364bd7892a08ae905e3b5e.png "8-[(2-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione")
8-[(2-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
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CAS No:
313470-49-4
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Formula:
C16H17ClN4O3S
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Chemical Name:
8-[(2-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
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Synonyms:
313470-49-4;8-((2-chlorobenzyl)thio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione;SMR000009762;MLS000031697;8-(2-Chloro-benzylsulfanyl)-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione;Oprea1_570033;Oprea1_673569;MLS002534715;CHEMBL1598823;HMS2307J18;STK834082;ZINC12647449;AKOS000717900;MCULE-7706913806;UPCMLD0ENAT5730900:001;NCGC00032171-02;8-{[(2-chlorophenyl)methyl]sulfanyl}-7-(2-methoxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;EU-0014351;ST50296558;AB00395351-09;SR-01000506591;SR-01000506591-1;F0381-3402;Z223813922;8-[(2-chlorobenzyl)sulfanyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione;8-[(2-chlorobenzyl)thio]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione;8-[(2-chlorophenyl)methylthio]-7-(2-methoxyethyl)-3-methyl-1,3,7-trihydropurin e-2,6-dione
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CAS No:
8-[(2-chlorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Basic Attributes
380.8 g/mol
380.0709893 g/mol
Computed Properties
Molecular Weight:380.8
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:380.0709893
Monoisotopic Mass:380.0709893
Topological Polar Surface Area:102
Heavy Atom Count:25
Complexity:512
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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