(5E)-4,6-bis(oxidanylidene)-5-[1-(piperidin-1-ium-1-ylamino)ethylidene]-1-prop-2-enyl-pyrimidin-2-olate

Systemtic Name: (5E)-4,6-bis(oxidanylidene)-5-[1-(piperidin-1-ium-1-ylamino)ethylidene]-1-prop-2-enyl-pyrimidin-2-olate Openeye Name: (5E)-1-allyl-4,6-dioxo-5-[1-(piperidin-1-ium-1-ylamino)ethylidene]pyrimidin-2-olate CAS Name: (5E)-4,6-dioxo-5-[1-(1-piperidin-1-iumylamino)ethylidene]-1-prop-2-enyl-2-pyrimidinolate IUPAC Name: (5E)-4,6-dioxo-5-[1-(piperidin-1-ium-1-ylamino)ethylidene]-1-prop-2-enylpyrimidin-2-olate Traditional Name: (5E)-1-allyl-4,6-diketo-5-[1-(piperidin-1-ium-1-ylamino)ethylidene]pyrimidin-2-olate Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N=C(N(C1=O)CC=C)[O-])N[NH+]2CCCCC2

Isomeric SMILES

C/C(=C\1/C(=O)N=C(N(C1=O)CC=C)[O-])/N[NH+]2CCCCC2

InChI

InChI=1S/C14H20N4O3/c1-3-7-18-13(20)11(12(19)15-14(18)21)10(2)16-17-8-5-4-6-9-17/h3,16H,1,4-9H2,2H3,(H,15,19,21)/b11-10+