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

Systemtic Name: 7-chloranyl-2-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 7-chloro-2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]thio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl]thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C21H20ClFN2O4S MolecularWeight: 450.910903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O4S/c1-28-9-3-8-25-20(27)15-6-4-13(22)10-17(15)24-21(25)30-12-18(26)16-11-14(23)5-7-19(16)29-2/h4-7,10-11H,3,8-9,12H2,1-2H3