AC1LJW9I

3-methyl-7-(2-phenylethyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione

Also Known As: Oprea1_477386|BAS 02378807|NCGC00286457-01|AB00672654-01|AB00672654-02|3-methyl-7-(2-phenylethyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione|F0823-0018|3-methyl-7-phenethyl-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione|3-methyl-7-(2-phenylethyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione|3-methyl-7-phenethyl-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione|3-ME-7-(2-PH-ET)-8-((2-(1-PIPERIDINYL)ET)THIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE|3-methyl-7-(2-phenylethyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione

Molecular Formula	C21H27N5O2S
Molecular Weight	413.18854 g/mol
LogP	2.244
Topological Polar Surface Area	75.92 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	413.18854
Monoisotopic Mass	413.18854
Heavy Atoms	29
Complexity	1080.1299

Chemical Identifiers

CAS Number	335403-20-8
SMILES	CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCCCC3)CCC4=CC=CC=C4