3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]quinoxalin-2-amine

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]quinoxalin-2-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]quinoxalin-2-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-quinoxalinamine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]quinoxalin-2-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]-[2-(1-methylpyrrolidin-2-yl)ethyl]amine Formula: C23H27BrN4OS MolecularWeight: 487.45568

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNC2=NC3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CN1CCCC1CCNC2=NC3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C23H27BrN4OS/c1-28-13-5-6-18(28)11-12-25-22-23(27-20-8-4-3-7-19(20)26-22)30-15-16-14-17(24)9-10-21(16)29-2/h3-4,7-10,14,18H,5-6,11-13,15H2,1-2H3,(H,25,26)