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

Systemtic Name: methyl-[[3-(4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: methyl-[[3-[4-oxo-6-(3-pyridyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: methyl-[[3-[4-oxo-6-(3-pyridinyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: methyl-[[3-(4-oxo-6-pyridin-3-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [3-[4-keto-6-(3-pyridyl)-1H-pyrimidin-2-yl]benzyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C21H21N6O+ MolecularWeight: 373.43104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O/c1-27(14-18-7-9-23-26-18)13-15-4-2-5-16(10-15)21-24-19(11-20(28)25-21)17-6-3-8-22-12-17/h2-12H,13-14H2,1H3,(H,23,26)(H,24,25,28)/p+1