4-[[4-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(2-bromo-4,5-dimethoxy-benzyl)thio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C22H25BrN3O3S+ MolecularWeight: 491.4212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4)Br)OC

InChI

InChI=1S/C22H24BrN3O3S/c1-27-19-11-15(17(23)12-20(19)28-2)14-30-22-16-5-3-4-6-18(16)24-21(25-22)13-26-7-9-29-10-8-26/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1