AC1LK84L structure

AC1LK84L

3-methyl-7-[(3-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione

Also Known As: BAS 04914744|UPCMLD0ENAT5829924:001|NCGC00081231-03|3-methyl-7-(3-methylbenzyl)-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione|AB00429629-05|AB00429629-12|SR-01000497360-1|F1191-0136|3-methyl-7-[(3-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione|3-ME-7(3-ME-BENZYL)8-((2-(1-PIPERIDINYL)ET)THIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE|3-methyl-7-[(3-methylphenyl)methyl]-8-(2-piperidylethylthio)-1,3,7-trihydropur ine-2,6-dione|6-hydroxy-3-methyl-7-(3-methylbenzyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-2H-purin-2-one

CAS: 442865-08-9
Molecular Formula C21H27N5O2S
Molecular Weight 413.18854 g/mol
LogP 2.35802
Topological Polar Surface Area 75.92 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 413.18854
Monoisotopic Mass 413.18854
Heavy Atoms 29
Complexity 1124.2823

Chemical Identifiers

CAS Number 442865-08-9
SMILES CC1=CC(=CC=C1)CN2C3=C(N=C2SCCN4CCCCC4)N(C(=O)NC3=O)C

Product Overview

AC1LK84L (CAS 442865-08-9), with molecular formula C21H27N5O2S and molecular weight 413.18854 g/mol. IUPAC: 3-methyl-7-[(3-methylphenyl)methyl]-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione.

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