2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C22H24ClFN3O2S+ MolecularWeight: 448.961263

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H23ClFN3O2S/c23-19-14-17(24)7-6-16(19)15-30-22-25-20-5-2-1-4-18(20)21(28)27(22)9-3-8-26-10-12-29-13-11-26/h1-2,4-7,14H,3,8-13,15H2/p+1