2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-phenethyl-quinazolin-4-one

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-phenethyl-quinazolin-4-one Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)F

InChI

InChI=1S/C25H21FN2O3S/c26-20-12-18-14-30-16-31-23(18)19(13-20)15-32-25-27-22-9-5-4-8-21(22)24(29)28(25)11-10-17-6-2-1-3-7-17/h1-9,12-13H,10-11,14-16H2