sodium 4,6-bis(oxidanylidene)-5-phenethyl-5-(1-phenylethyl)-1H-pyrimidin-2-olate

Systemtic Name: sodium 4,6-bis(oxidanylidene)-5-phenethyl-5-(1-phenylethyl)-1H-pyrimidin-2-olate Openeye Name: sodium 4,6-dioxo-5-phenethyl-5-(1-phenylethyl)-1H-pyrimidin-2-olate CAS Name: sodium 4,6-dioxo-5-phenethyl-5-(1-phenylethyl)-1H-pyrimidin-2-olate IUPAC Name: sodium 4,6-dioxo-5-phenethyl-5-(1-phenylethyl)-1H-pyrimidin-2-olate Traditional Name: sodium 4,6-diketo-5-phenethyl-5-(1-phenylethyl)-1H-pyrimidin-2-olate Formula: C20H19N2NaO3 MolecularWeight: 358.36623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2(C(=O)NC(=NC2=O)[O-])CCC3=CC=CC=C3.[Na+]

Isomeric SMILES

CC(C1=CC=CC=C1)C2(C(=O)NC(=NC2=O)[O-])CCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C20H20N2O3.Na/c1-14(16-10-6-3-7-11-16)20(13-12-15-8-4-2-5-9-15)17(23)21-19(25)22-18(20)24;/h2-11,14H,12-13H2,1H3,(H2,21,22,23,24,25);/q;+1/p-1