4-[[4-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(2-bromo-4-fluorophenyl)methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(2-bromo-4-fluorophenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(2-bromo-4-fluoro-benzyl)thio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C20H20BrFN3OS+ MolecularWeight: 449.359703

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=C(C=C(C=C4)F)Br

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=C(C=C(C=C4)F)Br

InChI

InChI=1S/C20H19BrFN3OS/c21-17-11-15(22)6-5-14(17)13-27-20-16-3-1-2-4-18(16)23-19(24-20)12-25-7-9-26-10-8-25/h1-6,11H,7-10,12-13H2/p+1