N1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-2-methyl-propane-1,2-diamine

Systemtic Name: N1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-2-methyl-propane-1,2-diamine Openeye Name: N1-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-2-methyl-propane-1,2-diamine CAS Name: N1-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-2-methylpropane-1,2-diamine IUPAC Name: 1-N-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]-2-methylpropane-1,2-diamine Traditional Name: (2-amino-2-methyl-propyl)-[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]amine Formula: C20H23BrN4OS MolecularWeight: 447.39182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4OS/c1-20(2,22)12-23-18-19(25-16-7-5-4-6-15(16)24-18)27-11-13-10-14(21)8-9-17(13)26-3/h4-10H,11-12,22H2,1-3H3,(H,23,24)