2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanyl-1-(3-methyl-1-piperidyl)ethanone CAS Name: 2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]-1-(3-methylpiperidino)ethanone Formula: C22H22FN3OS MolecularWeight: 395.492983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C22H22FN3OS/c1-15-6-5-11-26(13-15)20(27)14-28-22-18-12-17(23)9-10-19(18)24-21(25-22)16-7-3-2-4-8-16/h2-4,7-10,12,15H,5-6,11,13-14H2,1H3