3-methyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione; tetraphenylboranuide

Systemtic Name: 3-methyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione; tetraphenylboranuide Openeye Name: 3-methyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione; tetraphenylboranuide CAS Name: 3-methyl-6-(2,4,6-trimethyl-1-pyridin-1-iumyl)-1H-pyrimidine-2,4-dione; tetraphenylboranuide IUPAC Name: 3-methyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione; tetraphenylboranuide Traditional Name: 3-methyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)uracil; tetraphenylboranuide Formula: C37H36BN3O2 MolecularWeight: 565.51164

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC(=[N+](C(=C1)C)C2=CC(=O)N(C(=O)N2)C)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC(=[N+](C(=C1)C)C2=CC(=O)N(C(=O)N2)C)C

InChI

InChI=1S/C24H20B.C13H15N3O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-8-5-9(2)16(10(3)6-8)11-7-12(17)15(4)13(18)14-11/h1-20H;5-7H,1-4H3/q-1;/p+1