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

Systemtic Name: [3-[6-(furan-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [3-[6-(3-furyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [3-[6-(3-furanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [3-[6-(furan-3-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [3-[6-(3-furyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-methyl-(2-pyrazol-1-ylethyl)ammonium Formula: C21H22N5O2+ MolecularWeight: 376.43168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CC=N1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=COC=C4

Isomeric SMILES

C[NH+](CCN1C=CC=N1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=COC=C4

InChI

InChI=1S/C21H21N5O2/c1-25(9-10-26-8-3-7-22-26)14-16-4-2-5-17(12-16)21-23-19(13-20(27)24-21)18-6-11-28-15-18/h2-8,11-13,15H,9-10,14H2,1H3,(H,23,24,27)/p+1