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ethyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylpropanoate

ethyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylpropanoate structure

CAS No:
313470-85-8
Formula:
C19H22N4O4S
Chemical Name:
ethyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylpropanoate
Synonyms:
SMR000009258;313470-85-8;2-(3-Methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-propionic acid ethyl ester;ethyl 2-((3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoate;Oprea1_304448;Oprea1_539967;MLS000068100;MLS002538162;CHEMBL1385710;HMS2285A15;STK044041;AKOS000578722;AKOS022082269;MCULE-9876710011;EU-0004115;ST50235812;AB00406319-05;AB00406319-10;F0373-0932;F0381-4642;ethyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)-1,3,7-trihydropurin-8-ylthio]pro panoate;ethyl 2-{[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]thio}propanoate

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ethyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylpropanoate Basic Attributes

Molecular Weight：

402.5 g/mol

Exact Mass：

402.13617637 g/mol

Characteristics

PSA：

119 Å²

Computed Properties

Molecular Weight:402.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:402.13617637
Monoisotopic Mass:402.13617637
Topological Polar Surface Area:119
Heavy Atom Count:28
Complexity:599
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylpropanoate

Basic Attributes
Characteristics
Computed Properties
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