2-[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[2-(4-fluorophenyl)-7-methyl-4-quinazolinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]thio]-1-piperidino-ethanone Formula: C22H22FN3OS MolecularWeight: 395.492983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)N4CCCCC4

InChI

InChI=1S/C22H22FN3OS/c1-15-5-10-18-19(13-15)24-21(16-6-8-17(23)9-7-16)25-22(18)28-14-20(27)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3