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

Systemtic Name: 3-butyl-2-[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]thio]quinazolin-4-one Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(COC3=CC=CC=C3F)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](COC3=CC=CC=C3F)O

InChI

InChI=1S/C21H23FN2O3S/c1-2-3-12-24-20(26)16-8-4-6-10-18(16)23-21(24)28-14-15(25)13-27-19-11-7-5-9-17(19)22/h4-11,15,25H,2-3,12-14H2,1H3/t15-/m0/s1