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

Systemtic Name: 6-chloranyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 6-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-isobutyl-quinazolin-4-one CAS Name: 6-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 6-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 6-chloro-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-isobutyl-quinazolin-4-one Formula: C21H20ClFN2O3S MolecularWeight: 434.911503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C21H20ClFN2O3S/c1-12(2)8-25-20(26)17-7-15(22)3-4-18(17)24-21(25)29-10-14-6-16(23)5-13-9-27-11-28-19(13)14/h3-7,12H,8-11H2,1-2H3