2-[2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C25H31FN3O3S+ MolecularWeight: 472.595343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)F)COCO4)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)F)COCO4)C(C)C

InChI

InChI=1S/C25H30FN3O3S/c1-16(2)28(17(3)4)9-10-29-24(30)21-7-5-6-8-22(21)27-25(29)33-14-19-12-20(26)11-18-13-31-15-32-23(18)19/h5-8,11-12,16-17H,9-10,13-15H2,1-4H3/p+1