Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

HNO

Summary
Name:N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine
Formula:C12 H13 Cl2 N3
Formal charge:0
Formula weight:270.158 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-~{tert}-butyl-6,7-bis(chloranyl)quinoxalin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H13Cl2N3/c1-12(2,3)17-11-6-15-9-4-7(13)8(14)5-10(9)16-11/h4-6H,1-3H3,(H,16,17)
InChIKeyInChI1.03QYEPFRWKAAVUOP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1
SMILESCACTVS3.385CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl
SMILESOpenEye OEToolkits2.0.7CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl

223532

건을2024-08-07부터공개중

PDB statisticsPDBj update infoContact PDBjnumon