N'-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-2,2-dimethyl-propane-1,3-diamine

Systemtic Name: N'-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-2,2-dimethyl-propane-1,3-diamine Openeye Name: N'-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-2,2-dimethyl-propane-1,3-diamine CAS Name: N'-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-2,2-dimethylpropane-1,3-diamine IUPAC Name: N'-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]-2,2-dimethylpropane-1,3-diamine Traditional Name: (3-amino-2,2-dimethyl-propyl)-[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]amine Formula: C21H25BrN4OS MolecularWeight: 461.4184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC1=NC2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(CN)CNC1=NC2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H25BrN4OS/c1-21(2,12-23)13-24-19-20(26-17-7-5-4-6-16(17)25-19)28-11-14-10-15(22)8-9-18(14)27-3/h4-10H,11-13,23H2,1-3H3,(H,24,25)