1-(furan-2-ylmethyl)-4,6-bis(oxidanylidene)-5-[[(2-pyridin-1-ium-3-ylpiperidin-1-yl)amino]methylidene]pyrimidin-2-olate

Systemtic Name: 1-(furan-2-ylmethyl)-4,6-bis(oxidanylidene)-5-[[(2-pyridin-1-ium-3-ylpiperidin-1-yl)amino]methylidene]pyrimidin-2-olate Openeye Name: 1-(2-furylmethyl)-4,6-dioxo-5-[[(2-pyridin-1-ium-3-yl-1-piperidyl)amino]methylene]pyrimidin-2-olate CAS Name: 1-(2-furanylmethyl)-4,6-dioxo-5-[[[2-(3-pyridin-1-iumyl)-1-piperidinyl]amino]methylidene]-2-pyrimidinolate IUPAC Name: 1-(furan-2-ylmethyl)-4,6-dioxo-5-[[(2-pyridin-1-ium-3-ylpiperidin-1-yl)amino]methylidene]pyrimidin-2-olate Traditional Name: 1-(2-furfuryl)-4,6-diketo-5-[[(2-pyridin-1-ium-3-ylpiperidino)amino]methylene]pyrimidin-2-olate Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=C[NH+]=CC=C2)NC=C3C(=O)N=C(N(C3=O)CC4=CC=CO4)[O-]

Isomeric SMILES

C1CCN(C(C1)C2=C[NH+]=CC=C2)NC=C3C(=O)N=C(N(C3=O)CC4=CC=CO4)[O-]

InChI

InChI=1S/C20H21N5O4/c26-18-16(19(27)24(20(28)23-18)13-15-6-4-10-29-15)12-22-25-9-2-1-7-17(25)14-5-3-8-21-11-14/h3-6,8,10-12,17,22H,1-2,7,9,13H2,(H,23,26,28)