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

Systemtic Name: 2-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl]thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H21FN2O4S/c1-27-11-5-10-24-20(26)15-6-3-4-7-17(15)23-21(24)29-13-18(25)14-8-9-19(28-2)16(22)12-14/h3-4,6-9,12H,5,10-11,13H2,1-2H3