4,6-bis(oxidanylidene)-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]-1H-pyrimidin-2-olate

Systemtic Name: 4,6-bis(oxidanylidene)-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]-1H-pyrimidin-2-olate Openeye Name: 4,6-dioxo-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]-1H-pyrimidin-2-olate CAS Name: 4,6-dioxo-5-[1-(3-pyridin-1-iumylmethylamino)propylidene]-1H-pyrimidin-2-olate IUPAC Name: 4,6-dioxo-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]-1H-pyrimidin-2-olate Traditional Name: 4,6-diketo-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]-1H-pyrimidin-2-olate Formula: C13H14N4O3 MolecularWeight: 274.27526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=NC1=O)[O-])NCC2=C[NH+]=CC=C2

Isomeric SMILES

CCC(=C1C(=O)NC(=NC1=O)[O-])NCC2=C[NH+]=CC=C2

InChI

InChI=1S/C13H14N4O3/c1-2-9(15-7-8-4-3-5-14-6-8)10-11(18)16-13(20)17-12(10)19/h3-6,15H,2,7H2,1H3,(H2,16,17,18,19,20)