2,6-bis(oxidanylidene)-3-[2-(4-oxidanyl-4-oxidanylidene-butanoyl)oxyethoxymethyl]-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2,6-bis(oxidanylidene)-3-[2-(4-oxidanyl-4-oxidanylidene-butanoyl)oxyethoxymethyl]-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-3-[2-(4-hydroxy-4-oxo-butanoyl)oxyethoxymethyl]-2,6-dioxo-pyrimidin-4-olate CAS Name: 3-[2-(4-hydroxy-1,4-dioxobutoxy)ethoxymethyl]-2,6-dioxo-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-3-[2-(4-hydroxy-4-oxobutanoyl)oxyethoxymethyl]-2,6-dioxopyrimidin-4-olate Traditional Name: 5-benzyl-3-[2-(4-hydroxy-4-keto-butanoyl)oxyethoxymethyl]-2,6-diketo-pyrimidin-4-olate Formula: C18H19N2O8- MolecularWeight: 391.35206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N(C(=O)NC2=O)COCCOC(=O)CCC(=O)O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N(C(=O)NC2=O)COCCOC(=O)CCC(=O)O)[O-]

InChI

InChI=1S/C18H20N2O8/c21-14(22)6-7-15(23)28-9-8-27-11-20-17(25)13(16(24)19-18(20)26)10-12-4-2-1-3-5-12/h1-5,25H,6-11H2,(H,21,22)(H,19,24,26)/p-1