2-[(2-fluorophenyl)methylsulfanyl]-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one Openeye Name: 3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]-6-(1-piperidyl)quinazolin-4-one CAS Name: 2-[(2-fluorophenyl)methylthio]-3-(phenylmethyl)-6-(1-piperidinyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[(2-fluorobenzyl)thio]-6-piperidino-quinazolin-4-one Formula: C27H26FN3OS MolecularWeight: 459.578243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC=CC=C5F

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC=CC=C5F

InChI

InChI=1S/C27H26FN3OS/c28-24-12-6-5-11-21(24)19-33-27-29-25-14-13-22(30-15-7-2-8-16-30)17-23(25)26(32)31(27)18-20-9-3-1-4-10-20/h1,3-6,9-14,17H,2,7-8,15-16,18-19H2