3-(3-chloranyl-4-fluoranyl-phenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylthio]quinazolin-4-one Formula: C19H16ClFN2O3S MolecularWeight: 406.858343

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1COCO[C@H]1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C19H16ClFN2O3S/c20-15-9-12(5-6-16(15)21)23-18(24)14-3-1-2-4-17(14)22-19(23)27-10-13-7-8-25-11-26-13/h1-6,9,13H,7-8,10-11H2/t13-/m1/s1