Benzyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate

benzyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate

Also Known As: BAS 05968863|AB00433127-03|AB00433127-09|benzyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate|F1342-0013|benzyl 2-((7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate|benzyl 2-{[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate|2-[[7-(2-ethoxyethyl)-2,6-diketo-3-methyl-purin-8-yl]thio]acetic acid benzyl ester|2-[[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid (phenylmethyl) ester|(phenylmethyl) 2-[7-(2-ethoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate|benzyl {[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate|benzyl {[7-(2-ethoxyethyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}acetate|phenylmethyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-ylt hio]acetate

Molecular Formula	C19H22N4O5S
Molecular Weight	418.1311 g/mol
LogP	1.2953
Topological Polar Surface Area	108.21 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	418.1311
Monoisotopic Mass	418.1311
Heavy Atoms	29
Complexity	1103.4703

Chemical Identifiers

CAS Number	799252-84-9
SMILES	CCOCCN1C2=C(N=C1SCC(=O)OCC3=CC=CC=C3)N(C(=O)NC2=O)C