[3-[6-(furan-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: [3-[6-(furan-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: [3-[6-(3-furyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: [3-[6-(3-furanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: [3-[6-(furan-3-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [3-[6-(3-furyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C20H20N5O2+ MolecularWeight: 362.4051

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3=COC=C3)CC4=CC=NN4

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3=COC=C3)CC4=CC=NN4

InChI

InChI=1S/C20H19N5O2/c1-25(12-17-5-7-21-24-17)11-14-3-2-4-15(9-14)20-22-18(10-19(26)23-20)16-6-8-27-13-16/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,23,26)/p+1