3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-2-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NCCCN4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NCCCN4CCCC4

InChI

InChI=1S/C23H27BrN4OS/c1-29-21-10-9-18(24)15-17(21)16-30-23-22(25-11-6-14-28-12-4-5-13-28)26-19-7-2-3-8-20(19)27-23/h2-3,7-10,15H,4-6,11-14,16H2,1H3,(H,25,26)