2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C18H16BrFN2O2S MolecularWeight: 423.299243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)Br)F)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)Br)F)CCCO

InChI

InChI=1S/C18H16BrFN2O2S/c19-13-7-6-12(15(20)10-13)11-25-18-21-16-5-2-1-4-14(16)17(24)22(18)8-3-9-23/h1-2,4-7,10,23H,3,8-9,11H2