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

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C24H19FN2O4S MolecularWeight: 450.482063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)F)COCO5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)F)COCO5

InChI

InChI=1S/C24H19FN2O4S/c1-29-19-6-4-5-18(11-19)27-23(28)20-7-2-3-8-21(20)26-24(27)32-13-16-10-17(25)9-15-12-30-14-31-22(15)16/h2-11H,12-14H2,1H3