1-[3-[[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-(4-fluoroanilino)-2-quinazolinyl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-(4-fluoroanilino)quinazolin-2-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C24H20FN3O2S MolecularWeight: 433.497903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O2S/c1-15(29)16-7-12-22(30-2)17(13-16)14-31-24-27-21-6-4-3-5-20(21)23(28-24)26-19-10-8-18(25)9-11-19/h3-13H,14H2,1-2H3,(H,26,27,28)