sodium 5-butyl-4,6-bis(oxidanylidene)-5-phenyl-1H-pyrimidin-2-olate

Systemtic Name: sodium 5-butyl-4,6-bis(oxidanylidene)-5-phenyl-1H-pyrimidin-2-olate Openeye Name: sodium 5-butyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate CAS Name: sodium 5-butyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate IUPAC Name: sodium 5-butyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate Traditional Name: sodium 5-butyl-4,6-diketo-5-phenyl-1H-pyrimidin-2-olate Formula: C14H15N2NaO3 MolecularWeight: 282.27027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C14H16N2O3.Na/c1-2-3-9-14(10-7-5-4-6-8-10)11(17)15-13(19)16-12(14)18;/h4-8H,2-3,9H2,1H3,(H2,15,16,17,18,19);/q;+1/p-1