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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C(=O)NC(=NC1=O)[O-])CCC2=CC=CC=C2.[Na+]

Isomeric SMILES

CC(C)CC1(C(=O)NC(=NC1=O)[O-])CCC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H20N2O3.Na/c1-11(2)10-16(9-8-12-6-4-3-5-7-12)13(19)17-15(21)18-14(16)20;/h3-7,11H,8-10H2,1-2H3,(H2,17,18,19,20,21);/q;+1/p-1