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

Systemtic Name: 3-butan-2-yl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-sec-butyl-quinazolin-4-one CAS Name: 3-butan-2-yl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-butan-2-yl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-sec-butyl-quinazolin-4-one Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-3-13(2)23-20(25)17-6-4-5-7-18(17)22-21(23)30-11-15-9-16(24(26)27)8-14-10-28-12-29-19(14)15/h4-9,13H,3,10-12H2,1-2H3