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

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]quinazolin-4-one Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)F)COCO5

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)F)COCO5

InChI

InChI=1S/C25H25FN2O3S/c26-20-12-18-14-30-16-31-23(18)19(13-20)15-32-25-27-22-9-5-4-8-21(22)24(29)28(25)11-10-17-6-2-1-3-7-17/h4-6,8-9,12-13H,1-3,7,10-11,14-16H2