3-butyl-2-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-butyl-2-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H21FN2O3S/c1-3-4-11-24-20(26)15-7-5-6-8-17(15)23-21(24)28-13-18(25)16-12-14(22)9-10-19(16)27-2/h5-10,12H,3-4,11,13H2,1-2H3