4,6-bis(oxidanylidene)-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1H-pyrimidin-2-olate

Systemtic Name: 4,6-bis(oxidanylidene)-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1H-pyrimidin-2-olate Openeye Name: 4,6-dioxo-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1H-pyrimidin-2-olate CAS Name: 4,6-dioxo-5-[1-[2-(1-piperidin-1-iumyl)ethylamino]ethylidene]-1H-pyrimidin-2-olate IUPAC Name: 4,6-dioxo-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1H-pyrimidin-2-olate Traditional Name: 4,6-diketo-5-[1-(2-piperidin-1-ium-1-ylethylamino)ethylidene]-1H-pyrimidin-2-olate Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=NC1=O)[O-])NCC[NH+]2CCCCC2

Isomeric SMILES

CC(=C1C(=O)NC(=NC1=O)[O-])NCC[NH+]2CCCCC2

InChI

InChI=1S/C13H20N4O3/c1-9(10-11(18)15-13(20)16-12(10)19)14-5-8-17-6-3-2-4-7-17/h14H,2-8H2,1H3,(H2,15,16,18,19,20)