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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-6,7-dimethoxy-quinazolin-4-imine Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-(2-furylmethyl)-6,7-dimethoxy-quinazolin-4-imine CAS Name: 2-[(4-fluorophenyl)methylthio]-3-(2-furanylmethyl)-6,7-dimethoxy-4-quinazolinimine IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-6,7-dimethoxyquinazolin-4-imine Traditional Name: [2-[(4-fluorobenzyl)thio]-3-(2-furfuryl)-6,7-dimethoxy-quinazolin-4-ylidene]amine Formula: C22H20FN3O3S MolecularWeight: 425.475903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=CO4)OC

InChI

InChI=1S/C22H20FN3O3S/c1-27-19-10-17-18(11-20(19)28-2)25-22(30-13-14-5-7-15(23)8-6-14)26(21(17)24)12-16-4-3-9-29-16/h3-11,24H,12-13H2,1-2H3