5-[[6-oxidanyl-2,4-bis(oxidanylidene)-1-prop-2-enyl-pyrimidin-5-yl]-pyridin-1-ium-4-yl-methyl]-2,6-bis(oxidanylidene)-3-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 5-[[6-oxidanyl-2,4-bis(oxidanylidene)-1-prop-2-enyl-pyrimidin-5-yl]-pyridin-1-ium-4-yl-methyl]-2,6-bis(oxidanylidene)-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-5-[(1-allyl-6-hydroxy-2,4-dioxo-pyrimidin-5-yl)-pyridin-1-ium-4-yl-methyl]-2,6-dioxo-pyrimidin-4-olate CAS Name: 5-[(6-hydroxy-2,4-dioxo-1-prop-2-enyl-5-pyrimidinyl)-(4-pyridin-1-iumyl)methyl]-2,6-dioxo-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 5-[(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)-pyridin-1-ium-4-ylmethyl]-2,6-dioxo-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-5-[(1-allyl-6-hydroxy-2,4-diketo-pyrimidin-5-yl)-pyridin-1-ium-4-yl-methyl]-2,6-diketo-pyrimidin-4-olate Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(C(=O)NC1=O)C(C2=CC=[NH+]C=C2)C3=C(N(C(=O)NC3=O)CC=C)[O-])O

Isomeric SMILES

C=CCN1C(=C(C(=O)NC1=O)C(C2=CC=[NH+]C=C2)C3=C(N(C(=O)NC3=O)CC=C)[O-])O

InChI

InChI=1S/C20H19N5O6/c1-3-9-24-17(28)13(15(26)22-19(24)30)12(11-5-7-21-8-6-11)14-16(27)23-20(31)25(10-4-2)18(14)29/h3-8,12,28-29H,1-2,9-10H2,(H,22,26,30)(H,23,27,31)