3-[4-[bis(fluoranyl)methoxy]phenyl]-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[4-[bis(fluoranyl)methoxy]phenyl]-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-[4-(difluoromethoxy)phenyl]-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[4-(difluoromethoxy)phenyl]-2-(2-oxanylmethylthio)-4-quinazolinone IUPAC Name: 3-[4-(difluoromethoxy)phenyl]-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-[4-(difluoromethoxy)phenyl]-2-(tetrahydropyran-2-ylmethylthio)quinazolin-4-one Formula: C21H20F2N2O3S MolecularWeight: 418.456906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC(F)F

Isomeric SMILES

C1CCOC(C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC(F)F

InChI

InChI=1S/C21H20F2N2O3S/c22-20(23)28-15-10-8-14(9-11-15)25-19(26)17-6-1-2-7-18(17)24-21(25)29-13-16-5-3-4-12-27-16/h1-2,6-11,16,20H,3-5,12-13H2