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

Systemtic Name: sodium 4,6-bis(oxidanylidene)-5-phenethyl-5-(2-phenoxyethyl)-1H-pyrimidin-2-olate Openeye Name: sodium 4,6-dioxo-5-phenethyl-5-(2-phenoxyethyl)-1H-pyrimidin-2-olate CAS Name: sodium 4,6-dioxo-5-phenethyl-5-(2-phenoxyethyl)-1H-pyrimidin-2-olate IUPAC Name: sodium 4,6-dioxo-5-phenethyl-5-(2-phenoxyethyl)-1H-pyrimidin-2-olate Traditional Name: sodium 4,6-diketo-5-phenethyl-5-(2-phenoxyethyl)-1H-pyrimidin-2-olate Formula: C20H19N2NaO4 MolecularWeight: 374.36563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2(C(=O)NC(=NC2=O)[O-])CCOC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC2(C(=O)NC(=NC2=O)[O-])CCOC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C20H20N2O4.Na/c23-17-20(18(24)22-19(25)21-17,12-11-15-7-3-1-4-8-15)13-14-26-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H2,21,22,23,24,25);/q;+1/p-1