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

Systemtic Name: 3-cyclopentyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopentyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopentyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C22H21FN2O3S MolecularWeight: 412.477143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)F)COCO5

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)F)COCO5

InChI

InChI=1S/C22H21FN2O3S/c23-16-9-14-11-27-13-28-20(14)15(10-16)12-29-22-24-19-8-4-3-7-18(19)21(26)25(22)17-5-1-2-6-17/h3-4,7-10,17H,1-2,5-6,11-13H2