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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)quinazolin-4-imine Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-(2-thienylmethyl)quinazolin-4-imine CAS Name: 2-[(4-fluorophenyl)methylthio]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-4-quinazolinimine IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)quinazolin-4-imine Traditional Name: [2-[(4-fluorobenzyl)thio]-6,7-dimethoxy-3-(2-thenyl)quinazolin-4-ylidene]amine Formula: C22H20FN3O2S2 MolecularWeight: 441.541503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=CC=C(C=C3)F)CC4=CC=CS4)OC

InChI

InChI=1S/C22H20FN3O2S2/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