2-[2,6-bis(phenylmethoxy)pyrimidin-4-yl]-1,3,6,2-dioxazaborocane

Systemtic Name: 2-[2,6-bis(phenylmethoxy)pyrimidin-4-yl]-1,3,6,2-dioxazaborocane Openeye Name: 2-(2,6-dibenzyloxypyrimidin-4-yl)-1,3,6,2-dioxazaborocane CAS Name: 2-[2,6-bis(phenylmethoxy)-4-pyrimidinyl]-1,3,6,2-dioxazaborocane IUPAC Name: 2-[2,6-bis(phenylmethoxy)pyrimidin-4-yl]-1,3,6,2-dioxazaborocane Traditional Name: 2-(2,6-dibenzoxypyrimidin-4-yl)-1,3,6,2-dioxazaborocane Formula: C22H24BN3O4 MolecularWeight: 405.25466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OCCNCCO1)C2=CC(=NC(=N2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

B1(OCCNCCO1)C2=CC(=NC(=N2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H24BN3O4/c1-3-7-18(8-4-1)16-27-21-15-20(23-29-13-11-24-12-14-30-23)25-22(26-21)28-17-19-9-5-2-6-10-19/h1-10,15,24H,11-14,16-17H2