sodium 5-ethyl-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1H-pyrimidin-2-olate

Systemtic Name: sodium 5-ethyl-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1H-pyrimidin-2-olate Openeye Name: sodium 5-benzyl-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 5-ethyl-4,6-dioxo-5-(phenylmethyl)-1H-pyrimidin-2-olate IUPAC Name: sodium 5-benzyl-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate Traditional Name: sodium 5-benzyl-5-ethyl-4,6-diketo-1H-pyrimidin-2-olate Formula: C13H13N2NaO3 MolecularWeight: 268.24369

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=NC1=O)[O-])CC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCC1(C(=O)NC(=NC1=O)[O-])CC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C13H14N2O3.Na/c1-2-13(8-9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17;/h3-7H,2,8H2,1H3,(H2,14,15,16,17,18);/q;+1/p-1