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

Systemtic Name: (5E)-4,6-bis(oxidanylidene)-1-prop-2-enyl-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate Openeye Name: (5E)-1-allyl-4,6-dioxo-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate CAS Name: (5E)-4,6-dioxo-1-prop-2-enyl-5-[1-(3-pyridin-1-iumylmethylamino)propylidene]-2-pyrimidinolate IUPAC Name: (5E)-4,6-dioxo-1-prop-2-enyl-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate Traditional Name: (5E)-1-allyl-4,6-diketo-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)N=C(N(C1=O)CC=C)[O-])NCC2=C[NH+]=CC=C2

Isomeric SMILES

CC/C(=C\1/C(=O)N=C(N(C1=O)CC=C)[O-])/NCC2=C[NH+]=CC=C2

InChI

InChI=1S/C16H18N4O3/c1-3-8-20-15(22)13(14(21)19-16(20)23)12(4-2)18-10-11-6-5-7-17-9-11/h3,5-7,9,18H,1,4,8,10H2,2H3,(H,19,21,23)/b13-12+