2-[6-fluoranyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[6-fluoranyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-(2-methyl-1-piperidyl)ethanone CAS Name: 2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]thio]-1-(2-methylpiperidino)ethanone Formula: C22H21F2N3OS MolecularWeight: 413.483446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21F2N3OS/c1-14-4-2-3-11-27(14)20(28)13-29-22-18-12-17(24)9-10-19(18)25-21(26-22)15-5-7-16(23)8-6-15/h5-10,12,14H,2-4,11,13H2,1H3