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

Systemtic Name: 2-[6-fluoranyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]thio]-1-piperidino-ethanone Formula: C21H19F2N3OS MolecularWeight: 399.456866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19F2N3OS/c22-15-6-4-14(5-7-15)20-24-18-9-8-16(23)12-17(18)21(25-20)28-13-19(27)26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,13H2