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

Systemtic Name: methyl-[[4-(4-oxidanylidene-6-pyridin-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(pyrazin-2-ylmethyl)azanium Openeye Name: methyl-[[4-[4-oxo-6-(2-pyridyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(pyrazin-2-ylmethyl)ammonium CAS Name: methyl-[[4-[4-oxo-6-(2-pyridinyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(2-pyrazinylmethyl)ammonium IUPAC Name: methyl-[[4-(4-oxo-6-pyridin-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(pyrazin-2-ylmethyl)azanium Traditional Name: [4-[4-keto-6-(2-pyridyl)-1H-pyrimidin-2-yl]benzyl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C22H21N6O+ MolecularWeight: 385.44174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3=CC=CC=N3)CC4=NC=CN=C4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3=CC=CC=N3)CC4=NC=CN=C4

InChI

InChI=1S/C22H20N6O/c1-28(15-18-13-23-10-11-24-18)14-16-5-7-17(8-6-16)22-26-20(12-21(29)27-22)19-4-2-3-9-25-19/h2-13H,14-15H2,1H3,(H,26,27,29)/p+1