4-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(2-chloro-6-fluorophenyl)methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(2-chloro-6-fluoro-benzyl)thio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C20H20ClFN3OS+ MolecularWeight: 404.908703

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H19ClFN3OS/c21-16-5-3-6-17(22)15(16)13-27-20-14-4-1-2-7-18(14)23-19(24-20)12-25-8-10-26-11-9-25/h1-7H,8-13H2/p+1