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

Systemtic Name: 4,6-bis(oxidanylidene)-5-[1-(2-piperazin-1-ium-1-ylethylamino)ethylidene]-1H-pyrimidin-2-olate Openeye Name: 4,6-dioxo-5-[1-(2-piperazin-1-ium-1-ylethylamino)ethylidene]-1H-pyrimidin-2-olate CAS Name: 4,6-dioxo-5-[1-[2-(1-piperazin-1-iumyl)ethylamino]ethylidene]-1H-pyrimidin-2-olate IUPAC Name: 4,6-dioxo-5-[1-(2-piperazin-1-ium-1-ylethylamino)ethylidene]-1H-pyrimidin-2-olate Traditional Name: 4,6-diketo-5-[1-(2-piperazin-1-ium-1-ylethylamino)ethylidene]-1H-pyrimidin-2-olate Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O3/c1-8(9-10(18)15-12(20)16-11(9)19)14-4-7-17-5-2-13-3-6-17/h13-14H,2-7H2,1H3,(H2,15,16,18,19,20)