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A1B00

Summary
Name:N-tert-butyl-6,7-dichloro-3-(methanesulfonyl)quinoxalin-2-amine
Formula:C13 H15 Cl2 N3 O2 S
Formal charge:0
Formula weight:348.248 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-tert-butyl-6,7-dichloro-3-(methanesulfonyl)quinoxalin-2-amine
OpenEye OEToolkits3.1.0.0~{N}-~{tert}-butyl-6,7-bis(chloranyl)-3-methylsulfonyl-quinoxalin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC(C)(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
InChIInChI1.06InChI=1S/C13H15Cl2N3O2S/c1-13(2,3)18-11-12(21(4,19)20)17-10-6-8(15)7(14)5-9(10)16-11/h5-6H,1-4H3,(H,16,18)
InChIKeyInChI1.06GNZCSGYHILBXLL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)Nc1nc2cc(Cl)c(Cl)cc2nc1[S](C)(=O)=O
SMILESCACTVS3.385CC(C)(C)Nc1nc2cc(Cl)c(Cl)cc2nc1[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(C)(C)Nc1c(nc2cc(c(cc2n1)Cl)Cl)S(=O)(=O)C
SMILESOpenEye OEToolkits3.1.0.0CC(C)(C)Nc1c(nc2cc(c(cc2n1)Cl)Cl)S(=O)(=O)C

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PDB entries from 2026-09-30

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