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

Systemtic Name: 3-(2-methoxyethyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-methoxyethyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2-methoxyethyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(2-methoxyethyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-methoxyethyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H19N3O6S/c1-27-7-6-22-19(24)16-4-2-3-5-17(16)21-20(22)30-11-14-9-15(23(25)26)8-13-10-28-12-29-18(13)14/h2-5,8-9H,6-7,10-12H2,1H3