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methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoate

methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoate structure

CAS No:
377050-02-7
Formula:
C15H22N4O4S
Chemical Name:
methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoate
Synonyms:
2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester;377050-02-7;SMR000012175;2-[3-Methyl-7-(3-methyl-butyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-propionic acid methyl ester;Oprea1_464352;Oprea1_833985;MLS000072042;MLS000103121;CHEMBL1321371;REGID_for_CID_644509;CHEBI:107436;HMS2178P07;STK559863;AKOS000723837;AKOS005485282;AKOS016336761;methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoate;MCULE-8169336922;UPCMLD0ENAT5731331:001;EU-0012202;ST50271414;AB00417771-05;SR-01000497402;SR-01000497402-1;Q27185749;F1167-0062;methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-1,3,7-trihydropurin-8-ylthio]pr opanoate;methyl 2-((7-isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate;METHYL 2-[(7-ISOPENTYL-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)SULFANYL]PROPANOATE;methyl 2-{[6-hydroxy-3-methyl-7-(3-methylbutyl)-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}propanoate

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Description

2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester is an oxopurine.

methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoate Basic Attributes

Molecular Weight：

354.4 g/mol

Exact Mass：

354.13617637 g/mol

Characteristics

PSA：

119 Å²

Computed Properties

Molecular Weight:354.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:354.13617637
Monoisotopic Mass:354.13617637
Topological Polar Surface Area:119
Heavy Atom Count:24
Complexity:516
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoate

Description
Basic Attributes
Characteristics
Computed Properties
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