N-(2-fluoranyl-4-methyl-phenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-fluoranyl-4-methyl-phenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-fluoro-4-methyl-phenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-fluoro-4-methylphenyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-fluoro-4-methyl-phenyl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C22H24FN4O2S+ MolecularWeight: 427.514963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4)F

InChI

InChI=1S/C22H23FN4O2S/c1-15-6-7-19(17(23)12-15)25-21(28)14-30-22-16-4-2-3-5-18(16)24-20(26-22)13-27-8-10-29-11-9-27/h2-7,12H,8-11,13-14H2,1H3,(H,25,28)/p+1