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

Systemtic Name: 7-chloranyl-2-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 7-chloro-2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-isobutyl-quinazolin-4-one CAS Name: 7-chloro-2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 7-chloro-2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-3-isobutyl-quinazolin-4-one Formula: C27H24ClFN2O3S MolecularWeight: 511.007463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C27H24ClFN2O3S/c1-16(2)13-31-25(32)22-9-8-20(28)12-23(22)30-27(31)35-15-19-11-21(29)10-18-14-33-26(34-24(18)19)17-6-4-3-5-7-17/h3-12,16,26H,13-15H2,1-2H3