8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
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![8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/83dade36b0ea48ef9fb2f55227392ca7.png "8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione")
8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
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CAS No:
385386-91-4
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Formula:
C17H20N4O3S
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Chemical Name:
8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
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Synonyms:
385386-91-4;8-((2-hydroxyethyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione;SMR000012599;8-(2-Hydroxy-ethylsulfanyl)-1,3-dimethyl-7-(3-methyl-benzyl)-3,7-dihydro-purine-2,6-dione;Oprea1_761657;MLS000031422;MLS002536555;CHEMBL1344500;HMS2176N08;ZINC1830173;STK840349;AKOS000724050;MCULE-6977618446;UPCMLD0ENAT5731356:001;ST50273522;AB00395956-04;SR-01000497418;SR-01000497418-1;F1167-0084;Z223824642;8((2-HO-ETHYL)THIO)-1,3-DIMETHYL-7-(3-ME-BENZYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE;8-(2-hydroxyethylthio)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-1,3,7-trihydrop urine-2,6-dione;8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione;8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
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CAS No:
8-(2-hydroxyethylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Basic Attributes
360.4 g/mol
360.12561169 g/mol
Computed Properties
Molecular Weight:360.4
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:360.12561169
Monoisotopic Mass:360.12561169
Topological Polar Surface Area:104
Heavy Atom Count:25
Complexity:520
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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