3-(3-chloranyl-4-fluoranyl-phenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-(tetrahydropyran-2-ylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-(2-oxanylmethylthio)-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-(tetrahydropyran-2-ylmethylthio)quinazolin-4-one Formula: C20H18ClFN2O2S MolecularWeight: 404.885523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN2O2S/c21-16-11-13(8-9-17(16)22)24-19(25)15-6-1-2-7-18(15)23-20(24)27-12-14-5-3-4-10-26-14/h1-2,6-9,11,14H,3-5,10,12H2