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

Systemtic Name: sodium 5-butan-2-yl-4,6-bis(oxidanylidene)-5-phenethyl-1H-pyrimidin-2-olate Openeye Name: sodium 4,6-dioxo-5-phenethyl-5-sec-butyl-1H-pyrimidin-2-olate CAS Name: sodium 5-butan-2-yl-4,6-dioxo-5-phenethyl-1H-pyrimidin-2-olate IUPAC Name: sodium 5-butan-2-yl-4,6-dioxo-5-phenethyl-1H-pyrimidin-2-olate Traditional Name: sodium 4,6-diketo-5-phenethyl-5-sec-butyl-1H-pyrimidin-2-olate Formula: C16H19N2NaO3 MolecularWeight: 310.32343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C(=O)NC(=NC1=O)[O-])CCC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCC(C)C1(C(=O)NC(=NC1=O)[O-])CCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H20N2O3.Na/c1-3-11(2)16(10-9-12-7-5-4-6-8-12)13(19)17-15(21)18-14(16)20;/h4-8,11H,3,9-10H2,1-2H3,(H2,17,18,19,20,21);/q;+1/p-1