methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate
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methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate
structure -
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CAS No:
377065-73-1
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Formula:
C14H20N4O4S
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Chemical Name:
methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate
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Synonyms:
377065-73-1;SMR000012174;[3-Methyl-7-(3-methyl-butyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-acetic acid methyl ester;Oprea1_196071;Oprea1_549479;MLS000072128;MLS000103119;CHEMBL1332354;ZINC79527;HMS2168F05;HMS3319H13;STL000289;STL037950;AKOS000723776;AKOS005691834;MCULE-6658908204;NCGC00030507-02;EU-0012192;ST50271410;AB00417743-04;AB00417743-10;SR-01000497397;SR-01000497397-1;F1167-0057;Z223837862;ME ((7-ISOPENTYL-3-ME-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)THIO)ACETATE;methyl 2-((7-isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate;methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-1,3,7-trihydropurin-8-ylthio]ac etate;methyl {[3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate;methyl {[6-hydroxy-3-methyl-7-(3-methylbutyl)-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}acetate;methyl 2-{[3-methyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
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CAS No:
methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate Basic Attributes
340.40 g/mol
340.12052631 g/mol
Computed Properties
Molecular Weight:340.40
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:340.12052631
Monoisotopic Mass:340.12052631
Topological Polar Surface Area:119
Heavy Atom Count:23
Complexity:487
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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