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

Systemtic Name: 2-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 2-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-3-isopentyl-quinazolin-4-one CAS Name: 2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]thio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 2-[[2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl]thio]-3-isoamyl-quinazolin-4-one Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H23FN2O3S/c1-14(2)10-11-25-21(27)16-6-4-5-7-18(16)24-22(25)29-13-19(26)17-12-15(23)8-9-20(17)28-3/h4-9,12,14H,10-11,13H2,1-3H3