6-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(4-fluorophenyl)-(2-pyrimidinylamino)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(4-fluorophenyl)-(pyrimidin-2-ylamino)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4-fluorophenyl)-(2-pyrimidylamino)methyl]sesamol Formula: C18H14FN3O3 MolecularWeight: 339.320463

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(C3=CC=C(C=C3)F)NC4=NC=CC=N4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(C3=CC=C(C=C3)F)NC4=NC=CC=N4)O

InChI

InChI=1S/C18H14FN3O3/c19-12-4-2-11(3-5-12)17(22-18-20-6-1-7-21-18)13-8-15-16(9-14(13)23)25-10-24-15/h1-9,17,23H,10H2,(H,20,21,22)