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

Systemtic Name: 1-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]pyrrolidin-3-amine Openeye Name: 1-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]pyrrolidin-3-amine CAS Name: 1-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-3-pyrrolidinamine IUPAC Name: 1-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]pyrrolidin-3-amine Traditional Name: [1-[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=C2N4CCC(C4)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCC(C4)N

InChI

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