sodium 4,6-bis(oxidanylidene)-5-phenethyl-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate

Systemtic Name: sodium 4,6-bis(oxidanylidene)-5-phenethyl-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate Openeye Name: sodium 4,6-dioxo-5-phenethyl-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate CAS Name: sodium 4,6-dioxo-5-phenethyl-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate IUPAC Name: sodium 4,6-dioxo-5-phenethyl-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate Traditional Name: sodium 4,6-diketo-5-phenethyl-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate Formula: C21H21N2NaO4 MolecularWeight: 388.39221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2(C(=O)NC(=NC2=O)[O-])CCCOC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCC2(C(=O)NC(=NC2=O)[O-])CCCOC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H22N2O4.Na/c24-18-21(19(25)23-20(26)22-18,14-12-16-8-3-1-4-9-16)13-7-15-27-17-10-5-2-6-11-17;/h1-6,8-11H,7,12-15H2,(H2,22,23,24,25,26);/q;+1/p-1