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

Systemtic Name: 2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4OS/c1-15-10-12-27(13-11-15)20(28)14-29-22-25-19-5-3-2-4-18(19)21(26-22)24-17-8-6-16(23)7-9-17/h2-9,15H,10-14H2,1H3,(H,24,25,26)