pentyl 2-((3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate

Modify Date: 2025-08-20 20:36:26

pentyl 2-((3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate Structure
pentyl 2-((3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate structure
Common Name pentyl 2-((3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
CAS Number 313470-86-9 Molecular Weight 430.521
Density 1.3±0.1 g/cm3 Boiling Point N/A
Molecular Formula C21H26N4O4S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name MFCD01051207
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Molecular Formula C21H26N4O4S
Molecular Weight 430.521
Exact Mass 430.167480
LogP 5.05
Index of Refraction 1.635
InChIKey DTXZVZNHPCTSJR-UHFFFAOYSA-N
SMILES CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1

 Synonyms

Pentyl {[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
MFCD01051207
Acetic acid, 2-[[2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-7-(2-phenylethyl)-1H-purin-8-yl]thio]-, pentyl ester
pentyl {[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]thio}acetate
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