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

Systemtic Name: 2-[(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-isobutyl-quinazolin-4-one CAS Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-3-isobutyl-quinazolin-4-one Formula: C27H25BrN2O3S MolecularWeight: 537.468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C27H25BrN2O3S/c1-17(2)14-30-25(31)22-10-6-7-11-23(22)29-27(30)34-16-20-13-21(28)12-19-15-32-26(33-24(19)20)18-8-4-3-5-9-18/h3-13,17,26H,14-16H2,1-2H3