2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenyl-pyrimidine

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenyl-pyrimidine Openeye Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenyl-pyrimidine CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-diphenylpyrimidine IUPAC Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenylpyrimidine Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-diphenyl-pyrimidine Formula: C25H19FN2O2S MolecularWeight: 430.493963

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)F

InChI

InChI=1S/C25H19FN2O2S/c26-21-11-19-14-29-16-30-24(19)20(12-21)15-31-25-27-13-22(17-7-3-1-4-8-17)23(28-25)18-9-5-2-6-10-18/h1-13H,14-16H2