2,2-diphenyl-3-(7H-purin-6-yl)-1,3,2-oxazaborolidin-2-ium

Systemtic Name: 2,2-diphenyl-3-(7H-purin-6-yl)-1,3,2-oxazaborolidin-2-ium Openeye Name: 2,2-diphenyl-3-(7H-purin-6-yl)-1,3,2-oxazaborolidin-2-ium CAS Name: 2,2-diphenyl-3-(7H-purin-6-yl)-1,3,2-oxazaborolidin-2-ium IUPAC Name: 2,2-diphenyl-3-(7H-purin-6-yl)-1,3,2-oxazaborolidin-2-ium Traditional Name: 2,2-diphenyl-3-(7H-purin-6-yl)-1,3,2-oxazaborolidin-2-ium Formula: C19H17BN5O+ MolecularWeight: 342.18218

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Descriptors Computed from Structure

Canonical SMILES:

[B+]1(N(CCO1)C2=NC=NC3=C2NC=N3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

[B+]1(N(CCO1)C2=NC=NC3=C2NC=N3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C19H17BN5O/c1-3-7-15(8-4-1)20(16-9-5-2-6-10-16)25(11-12-26-20)19-17-18(22-13-21-17)23-14-24-19/h1-10,13-14H,11-12H2,(H,21,22,23,24)/q+1