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

Systemtic Name: 3-(3-ethoxypropyl)-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-ethoxypropyl)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-ethoxypropyl)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-ethoxypropyl)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-ethoxypropyl)-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C22H23FN2O4S MolecularWeight: 430.492423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C22H23FN2O4S/c1-2-27-9-5-8-25-21(26)18-6-3-4-7-19(18)24-22(25)30-13-16-11-17(23)10-15-12-28-14-29-20(15)16/h3-4,6-7,10-11H,2,5,8-9,12-14H2,1H3