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

Systemtic Name: 5-[1-(2-morpholin-4-ium-4-ylethylamino)propylidene]-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate Openeye Name: 5-[1-(2-morpholin-4-ium-4-ylethylamino)propylidene]-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: 5-[1-[2-(4-morpholin-4-iumyl)ethylamino]propylidene]-4,6-dioxo-1H-pyrimidin-2-olate IUPAC Name: 5-[1-(2-morpholin-4-ium-4-ylethylamino)propylidene]-4,6-dioxo-1H-pyrimidin-2-olate Traditional Name: 4,6-diketo-5-[1-(2-morpholin-4-ium-4-ylethylamino)propylidene]-1H-pyrimidin-2-olate Formula: C13H20N4O4 MolecularWeight: 296.3223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=NC1=O)[O-])NCC[NH+]2CCOCC2

Isomeric SMILES

CCC(=C1C(=O)NC(=NC1=O)[O-])NCC[NH+]2CCOCC2

InChI

InChI=1S/C13H20N4O4/c1-2-9(10-11(18)15-13(20)16-12(10)19)14-3-4-17-5-7-21-8-6-17/h14H,2-8H2,1H3,(H2,15,16,18,19,20)