[2-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]azanium

Systemtic Name: [2-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]azanium Openeye Name: [2-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]ammonium CAS Name: [2-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]ammonium IUPAC Name: [2-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]azanium Traditional Name: [2-(6-butyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-[2-(1H-pyrazol-4-yl)ethyl]ammonium Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+](C)CCC3=CNN=C3

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+](C)CCC3=CNN=C3

InChI

InChI=1S/C21H27N5O/c1-3-4-8-18-12-20(27)25-21(24-18)19-9-6-5-7-17(19)15-26(2)11-10-16-13-22-23-14-16/h5-7,9,12-14H,3-4,8,10-11,15H2,1-2H3,(H,22,23)(H,24,25,27)/p+1