2-[2-(2-fluoranylphenoxy)ethylsulfanyl]-5,6-dimethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one

Systemtic Name: 2-[2-(2-fluoranylphenoxy)ethylsulfanyl]-5,6-dimethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Openeye Name: 2-[2-(2-fluorophenoxy)ethylsulfanyl]-5,6-dimethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one CAS Name: 2-[2-(2-fluorophenoxy)ethylthio]-5,6-dimethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one IUPAC Name: 2-[2-(2-fluorophenoxy)ethylsulfanyl]-5,6-dimethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Traditional Name: 2-[2-(2-fluorophenoxy)ethylthio]-5,6-dimethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Formula: C22H20FN2O2S2+ MolecularWeight: 427.534803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=[N+](C(=O)C12)C3=CC=CC=C3)SCCOC4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(SC2=NC(=[N+](C(=O)C12)C3=CC=CC=C3)SCCOC4=CC=CC=C4F)C

InChI

InChI=1S/C22H20FN2O2S2/c1-14-15(2)29-20-19(14)21(26)25(16-8-4-3-5-9-16)22(24-20)28-13-12-27-18-11-7-6-10-17(18)23/h3-11,19H,12-13H2,1-2H3/q+1