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

Systemtic Name: ethyl-[[4-[6-(2-methoxyethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: ethyl-[[4-[6-(2-methoxyethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: ethyl-[[4-[6-(2-methoxyethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: ethyl-[[4-[6-(2-methoxyethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: ethyl-[4-[4-keto-6-(2-methoxyethyl)-1H-pyrimidin-2-yl]benzyl]-(2-pyrazol-1-ylethyl)ammonium Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-3-25(12-13-26-11-4-10-22-26)16-17-5-7-18(8-6-17)21-23-19(9-14-28-2)15-20(27)24-21/h4-8,10-11,15H,3,9,12-14,16H2,1-2H3,(H,23,24,27)/p+1