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

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

CAS No:
108280-80-4
Formula:
C18H20N4O4S
Chemical Name:
ethyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylacetate
Synonyms:
SMR000009257;(3-Methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetic acid ethyl ester;BAS 00619064;Oprea1_608766;Oprea1_832061;MLS000077154;MLS002536243;CHEMBL1452145;HMS2303I11;ZINC821016;STK025655;AKOS000578721;MCULE-6979816115;ST50235811;ethyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)-1,3,7-trihydropurin-8-ylthio]ace tate;108280-80-4;ethyl {[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate

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

Molecular Weight：

388.4 g/mol

Exact Mass：

388.12052631 g/mol

Characteristics

PSA：

119 Å²

XLogP3：

1.3212

Melting Point：

200 - 202 °C (ethanol)

Computed Properties

Molecular Weight:388.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:388.12052631
Monoisotopic Mass:388.12052631
Topological Polar Surface Area:119
Heavy Atom Count:27
Complexity:570
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]sulfanylacetate

Basic Attributes
Characteristics
Computed Properties
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