3-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C20H21FN3O2S+ MolecularWeight: 386.463043

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O2S/c21-15-5-7-16(8-6-15)24-19(25)17-3-1-2-4-18(17)22-20(24)27-14-11-23-9-12-26-13-10-23/h1-8H,9-14H2/p+1