2-[2-(4-fluoranylphenoxy)ethylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-fluoranylphenoxy)ethylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(4-fluorophenoxy)ethylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[2-(4-fluorophenoxy)ethylthio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(4-fluorophenoxy)ethylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[2-(4-fluorophenoxy)ethylthio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C23H27FN3O3S+ MolecularWeight: 444.542183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O3S/c24-18-6-8-19(9-7-18)30-16-17-31-23-25-21-5-2-1-4-20(21)22(28)27(23)11-3-10-26-12-14-29-15-13-26/h1-2,4-9H,3,10-17H2/p+1