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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+](C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=COC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+](C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=COC=C4

InChI

InChI=1S/C21H21N5O2/c1-25(12-16-10-22-26(2)13-16)11-15-3-5-17(6-4-15)21-23-19(9-20(27)24-21)18-7-8-28-14-18/h3-10,13-14H,11-12H2,1-2H3,(H,23,24,27)/p+1