2-[(3-fluorophenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C22H25FN3O2S+ MolecularWeight: 414.516203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O2S/c23-18-6-3-5-17(15-18)16-29-22-24-20-8-2-1-7-19(20)21(27)26(22)10-4-9-25-11-13-28-14-12-25/h1-3,5-8,15H,4,9-14,16H2/p+1