2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one Openeye Name: 3-isopropyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one Traditional Name: 3-isopropyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H19N3O5S/c1-12(2)22-19(24)16-5-3-4-6-17(16)21-20(22)29-10-14-8-15(23(25)26)7-13-9-27-11-28-18(13)14/h3-8,12H,9-11H2,1-2H3