2-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one

Systemtic Name: 2-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 2-[3-(4-fluorophenoxy)-2-hydroxy-propyl]sulfanyl-3-isopentyl-quinazolin-4-one CAS Name: 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]thio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 2-[[3-(4-fluorophenoxy)-2-hydroxy-propyl]thio]-3-isoamyl-quinazolin-4-one Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC=C(C=C3)F)O

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC=C(C=C3)F)O

InChI

InChI=1S/C22H25FN2O3S/c1-15(2)11-12-25-21(27)19-5-3-4-6-20(19)24-22(25)29-14-17(26)13-28-18-9-7-16(23)8-10-18/h3-10,15,17,26H,11-14H2,1-2H3