2-[(2-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine CAS Name: 2-[(2-fluorophenyl)methylthio]-6,7-dimethoxy-3-octyl-4-quinazolinimine IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-octylquinazolin-4-imine Traditional Name: [2-[(2-fluorobenzyl)thio]-6,7-dimethoxy-3-octyl-quinazolin-4-ylidene]amine Formula: C25H32FN3O2S MolecularWeight: 457.603883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=CC=CC=C3F)OC)OC

Isomeric SMILES

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=CC=CC=C3F)OC)OC

InChI

InChI=1S/C25H32FN3O2S/c1-4-5-6-7-8-11-14-29-24(27)19-15-22(30-2)23(31-3)16-21(19)28-25(29)32-17-18-12-9-10-13-20(18)26/h9-10,12-13,15-16,27H,4-8,11,14,17H2,1-3H3