4-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoranyl-4-(2-oxidanylpropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoranyl-4-(2-oxidanylpropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-N-[2-fluoro-4-(1-hydroxy-1-methyl-ethyl)benzyl]pyrimidine-5-carboxamide Formula: C22H20FN3O5 MolecularWeight: 425.409703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C=C1)CNC(=O)C2=CN=CN=C2OC3=CC4=C(C=C3)OCO4)F)O

Isomeric SMILES

CC(C)(C1=CC(=C(C=C1)CNC(=O)C2=CN=CN=C2OC3=CC4=C(C=C3)OCO4)F)O

InChI

InChI=1S/C22H20FN3O5/c1-22(2,28)14-4-3-13(17(23)7-14)9-25-20(27)16-10-24-11-26-21(16)31-15-5-6-18-19(8-15)30-12-29-18/h3-8,10-11,28H,9,12H2,1-2H3,(H,25,27)