[4-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]morpholin-2-yl]methanamine

Systemtic Name: [4-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]morpholin-2-yl]methanamine Openeye Name: [4-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]morpholin-2-yl]methanamine CAS Name: [4-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-2-morpholinyl]methanamine IUPAC Name: [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]morpholin-2-yl]methanamine Traditional Name: [4-[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]morpholin-2-yl]methylamine Formula: C21H23BrN4O2S MolecularWeight: 475.40192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCOC(C4)CN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCOC(C4)CN

InChI

InChI=1S/C21H23BrN4O2S/c1-27-19-7-6-15(22)10-14(19)13-29-21-20(26-8-9-28-16(11-23)12-26)24-17-4-2-3-5-18(17)25-21/h2-7,10,16H,8-9,11-13,23H2,1H3