methyl 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate
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![methyl 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0b7278c1b9cb4d5f920aa8a3971704fd.png "methyl 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate")
methyl 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate
structure -
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CAS No:
371233-91-9
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Formula:
C19H22N4O4S
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Chemical Name:
methyl 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate
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Synonyms:
SMR000012600;MLS000032304;2-[1,3-Dimethyl-7-(3-methyl-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-propionic acid methyl ester;BAS 03819144;Oprea1_227634;MLS002537262;CHEMBL1374656;HMS2180I14;STK840252;AKOS000724108;AKOS016336789;MCULE-3479249496;NCGC00029114-02;ST50273525;AB00394486-08;371233-91-9;methyl 2-{[1,3-dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoate;methyl 2-{[1,3-dimethyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]thio}propanoate;methyl 2-{1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-1,3,7-trihydropuri n-8-ylthio}propanoate
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CAS No:
methyl 2-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylpropanoate Basic Attributes
402.5 g/mol
402.13617637 g/mol
Computed Properties
Molecular Weight:402.5
XLogP3:2.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:402.13617637
Monoisotopic Mass:402.13617637
Topological Polar Surface Area:110
Heavy Atom Count:28
Complexity:633
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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