AC1LKH40 structure

AC1LKH40

N-tert-butyl-2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide

Also Known As: Oprea1_752526|Oprea1_771290|BAS 02720590|AB00105239-01|AN-648/15101002|N-tert-butyl-2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide|N-tert-butyl-2-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide|N-(tert-butyl)-2-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide|N-(tert-butyl)-2-{7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo(1,3,7-trih ydropurin-8-ylthio)}acetamide|N-TERT-BUTYL-2-({7-[(2-CHLOROPHENYL)METHYL]-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}SULFANYL)ACETAMIDE

CAS: 335208-75-8
Molecular Formula C20H24ClN5O3S
Molecular Weight 449.12885 g/mol
LogP 2.1422
Topological Polar Surface Area 90.92 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 449.12885
Monoisotopic Mass 449.12885
Heavy Atoms 30
Complexity 1236.1836

Chemical Identifiers

CAS Number 335208-75-8
SMILES CC(C)(C)NC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Product Overview

AC1LKH40 (CAS 335208-75-8), with molecular formula C20H24ClN5O3S and molecular weight 449.12885 g/mol. IUPAC: N-tert-butyl-2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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