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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-pyrrolidin-3-yl-quinoxalin-2-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-N-pyrrolidin-3-yl-quinoxalin-2-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-N-(3-pyrrolidinyl)-2-quinoxalinamine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-pyrrolidin-3-ylquinoxalin-2-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]-pyrrolidin-3-yl-amine Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NC4CCNC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NC4CCNC4

InChI

InChI=1S/C20H21BrN4OS/c1-26-18-7-6-14(21)10-13(18)12-27-20-19(23-15-8-9-22-11-15)24-16-4-2-3-5-17(16)25-20/h2-7,10,15,22H,8-9,11-12H2,1H3,(H,23,24)