3-[9-(2-morpholin-4-ylethyl)purin-6-yl]-2,2-diphenyl-1,3,2-oxazaborolidin-2-ium

Systemtic Name: 3-[9-(2-morpholin-4-ylethyl)purin-6-yl]-2,2-diphenyl-1,3,2-oxazaborolidin-2-ium Openeye Name: 3-[9-(2-morpholinoethyl)purin-6-yl]-2,2-diphenyl-1,3,2-oxazaborolidin-2-ium CAS Name: 3-[9-[2-(4-morpholinyl)ethyl]-6-purinyl]-2,2-diphenyl-1,3,2-oxazaborolidin-2-ium IUPAC Name: 3-[9-(2-morpholin-4-ylethyl)purin-6-yl]-2,2-diphenyl-1,3,2-oxazaborolidin-2-ium Traditional Name: 3-[9-(2-morpholinoethyl)purin-6-yl]-2,2-diphenyl-1,3,2-oxazaborolidin-2-ium Formula: C25H28BN6O2+ MolecularWeight: 455.33982

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Descriptors Computed from Structure

Canonical SMILES:

[B+]1(N(CCO1)C2=NC=NC3=C2N=CN3CCN4CCOCC4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

[B+]1(N(CCO1)C2=NC=NC3=C2N=CN3CCN4CCOCC4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C25H28BN6O2/c1-3-7-21(8-4-1)26(22-9-5-2-6-10-22)32(15-18-34-26)25-23-24(27-19-28-25)31(20-29-23)12-11-30-13-16-33-17-14-30/h1-10,19-20H,11-18H2/q+1