3-(1,3-benzodioxol-5-ylmethyl)-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-piperonyl-quinazolin-4-one Formula: C25H19FN2O5S MolecularWeight: 478.492163

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6)F

InChI

InChI=1S/C25H19FN2O5S/c26-18-8-16-11-30-13-33-23(16)17(9-18)12-34-25-27-20-4-2-1-3-19(20)24(29)28(25)10-15-5-6-21-22(7-15)32-14-31-21/h1-9H,10-14H2