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

Systemtic Name: 4,6-bis(oxidanylidene)-5-[1-(2-piperazin-1-ium-1-ylethylamino)propylidene]-1H-pyrimidin-2-olate Openeye Name: 4,6-dioxo-5-[1-(2-piperazin-1-ium-1-ylethylamino)propylidene]-1H-pyrimidin-2-olate CAS Name: 4,6-dioxo-5-[1-[2-(1-piperazin-1-iumyl)ethylamino]propylidene]-1H-pyrimidin-2-olate IUPAC Name: 4,6-dioxo-5-[1-(2-piperazin-1-ium-1-ylethylamino)propylidene]-1H-pyrimidin-2-olate Traditional Name: 4,6-diketo-5-[1-(2-piperazin-1-ium-1-ylethylamino)propylidene]-1H-pyrimidin-2-olate Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=NC1=O)[O-])NCC[NH+]2CCNCC2

Isomeric SMILES

CCC(=C1C(=O)NC(=NC1=O)[O-])NCC[NH+]2CCNCC2

InChI

InChI=1S/C13H21N5O3/c1-2-9(10-11(19)16-13(21)17-12(10)20)15-5-8-18-6-3-14-4-7-18/h14-15H,2-8H2,1H3,(H2,16,17,19,20,21)