6-[[[3-fluoranyl-4-(phenylsulfinyl)phenyl]-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one

Systemtic Name: 6-[[[3-fluoranyl-4-(phenylsulfinyl)phenyl]-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 6-[[4-(benzenesulfinyl)-3-fluoro-N-prop-2-ynyl-anilino]methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 6-[[4-(benzenesulfinyl)-3-fluoro-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 6-[[4-(benzenesulfinyl)-3-fluoro-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 6-[[4-(benzenesulfinyl)-3-fluoro-N-propargyl-anilino]methyl]-2-methyl-1H-quinazolin-4-one Formula: C25H20FN3O2S MolecularWeight: 445.508603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)S(=O)C4=CC=CC=C4)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)S(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C25H20FN3O2S/c1-3-13-29(16-18-9-11-23-21(14-18)25(30)28-17(2)27-23)19-10-12-24(22(26)15-19)32(31)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,27,28,30)