[3-(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [3-(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: [3-(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [3-(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [3-(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [3-(6-tert-butyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-(4-pyrimidylmethyl)ammonium Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+](C)CC3=NC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+](C)CC3=NC=NC=C3

InChI

InChI=1S/C21H25N5O/c1-21(2,3)18-11-19(27)25-20(24-18)16-7-5-6-15(10-16)12-26(4)13-17-8-9-22-14-23-17/h5-11,14H,12-13H2,1-4H3,(H,24,25,27)/p+1