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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C22H21N3O6S/c26-21-18-5-1-2-6-19(18)23-22(24(21)10-17-4-3-7-30-17)32-12-15-9-16(25(27)28)8-14-11-29-13-31-20(14)15/h1-2,5-6,8-9,17H,3-4,7,10-13H2