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

Systemtic Name: 2-[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[2-(4-fluorophenyl)-6-methyl-4-quinazolinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[2-(4-fluorophenyl)-6-methyl-quinazolin-4-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C23H24FN3OS MolecularWeight: 409.519563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN3OS/c1-15-9-11-27(12-10-15)21(28)14-29-23-19-13-16(2)3-8-20(19)25-22(26-23)17-4-6-18(24)7-5-17/h3-8,13,15H,9-12,14H2,1-2H3