3-(3-ethoxypropyl)-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-ethoxypropyl)-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-ethoxypropyl)-2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-ethoxypropyl)-2-[(3-fluoro-4-methoxyphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-ethoxypropyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-ethoxypropyl)-2-[(3-fluoro-4-methoxy-benzyl)thio]quinazolin-4-one Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)F

InChI

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