6-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)pyrimidin-4-amine

Systemtic Name: 6-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)pyrimidin-4-amine Openeye Name: 6-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)pyrimidin-4-amine CAS Name: 6-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)-4-pyrimidinamine IUPAC Name: 6-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)pyrimidin-4-amine Traditional Name: [6-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)pyrimidin-4-yl]amine Formula: C18H18BN4O+ MolecularWeight: 317.17272

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Descriptors Computed from Structure

Canonical SMILES:

[B+]1(N(CCO1)C2=CC(=NC=N2)N)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B+]1(N(CCO1)C2=CC(=NC=N2)N)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H18BN4O/c20-17-13-18(22-14-21-17)23-11-12-24-19(23,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2,(H2,20,21,22)/q+1