[2-(methylamino)-4-phenylmethoxy-pyrimidin-5-yl]boronic acid

Systemtic Name: [2-(methylamino)-4-phenylmethoxy-pyrimidin-5-yl]boronic acid Openeye Name: [4-benzyloxy-2-(methylamino)pyrimidin-5-yl]boronic acid CAS Name: [2-(methylamino)-4-phenylmethoxy-5-pyrimidinyl]boronic acid IUPAC Name: [2-(methylamino)-4-phenylmethoxypyrimidin-5-yl]boronic acid Traditional Name: [4-benzoxy-2-(methylamino)pyrimidin-5-yl]boronic acid Formula: C12H14BN3O3 MolecularWeight: 259.06886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CN=C(N=C1OCC2=CC=CC=C2)NC)(O)O

Isomeric SMILES

B(C1=CN=C(N=C1OCC2=CC=CC=C2)NC)(O)O

InChI

InChI=1S/C12H14BN3O3/c1-14-12-15-7-10(13(17)18)11(16-12)19-8-9-5-3-2-4-6-9/h2-7,17-18H,8H2,1H3,(H,14,15,16)