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

Systemtic Name: (5E)-4,6-bis(oxidanylidene)-1-(phenylmethyl)-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate Openeye Name: (5E)-1-benzyl-4,6-dioxo-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate CAS Name: (5E)-4,6-dioxo-1-(phenylmethyl)-5-[1-(3-pyridin-1-iumylmethylamino)propylidene]-2-pyrimidinolate IUPAC Name: (5E)-1-benzyl-4,6-dioxo-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate Traditional Name: (5E)-1-benzyl-4,6-diketo-5-[1-(pyridin-1-ium-3-ylmethylamino)propylidene]pyrimidin-2-olate Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)N=C(N(C1=O)CC2=CC=CC=C2)[O-])NCC3=C[NH+]=CC=C3

Isomeric SMILES

CC/C(=C\1/C(=O)N=C(N(C1=O)CC2=CC=CC=C2)[O-])/NCC3=C[NH+]=CC=C3

InChI

InChI=1S/C20H20N4O3/c1-2-16(22-12-15-9-6-10-21-11-15)17-18(25)23-20(27)24(19(17)26)13-14-7-4-3-5-8-14/h3-11,22H,2,12-13H2,1H3,(H,23,25,27)/b17-16+