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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6,7-dimethoxy-3-octyl-quinazolin-4-imine CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-6,7-dimethoxy-3-octyl-4-quinazolinimine IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-octylquinazolin-4-imine Traditional Name: [2-[(2-chloro-6-fluoro-benzyl)thio]-6,7-dimethoxy-3-octyl-quinazolin-4-ylidene]amine Formula: C25H31ClFN3O2S MolecularWeight: 492.048943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=C(C=CC=C3Cl)F)OC)OC

Isomeric SMILES

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=C(C=CC=C3Cl)F)OC)OC

InChI

InChI=1S/C25H31ClFN3O2S/c1-4-5-6-7-8-9-13-30-24(28)17-14-22(31-2)23(32-3)15-21(17)29-25(30)33-16-18-19(26)11-10-12-20(18)27/h10-12,14-15,28H,4-9,13,16H2,1-3H3