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

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

CAS No:
313470-86-9
Formula:
C21H26N4O4S
Chemical Name:
pentyl 2-[3-methyl-2,6-dioxo-7-(2-phenylethyl)purin-8-yl]sulfanylacetate
Synonyms:
313470-86-9;SMR000009259;MLS000029191;(3-Methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetic acid pentyl ester;MLS000100714;CHEMBL1562805;HMS2278K09;ZINC2057954;STK086767;AKOS000578753;MCULE-9713753700;AB00397037-05;SR-01000506631;SR-01000506631-1;F0381-4644;pentyl 2-((3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate;pentyl {[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate;pentyl {[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]thio}acetate

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

Molecular Weight：

430.5 g/mol

Exact Mass：

430.16747650 g/mol

Characteristics

PSA：

119 Å²

Computed Properties

Molecular Weight:430.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:430.16747650
Monoisotopic Mass:430.16747650
Topological Polar Surface Area:119
Heavy Atom Count:30
Complexity:614
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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