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

Systemtic Name: sodium 5-ethyl-4,6-bis(oxidanylidene)-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate Openeye Name: sodium 5-ethyl-4,6-dioxo-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate CAS Name: sodium 5-ethyl-4,6-dioxo-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate IUPAC Name: sodium 5-ethyl-4,6-dioxo-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate Traditional Name: sodium 5-ethyl-4,6-diketo-5-(3-phenoxypropyl)-1H-pyrimidin-2-olate Formula: C15H17N2NaO4 MolecularWeight: 312.29625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=NC1=O)[O-])CCCOC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCC1(C(=O)NC(=NC1=O)[O-])CCCOC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C15H18N2O4.Na/c1-2-15(12(18)16-14(20)17-13(15)19)9-6-10-21-11-7-4-3-5-8-11;/h3-5,7-8H,2,6,9-10H2,1H3,(H2,16,17,18,19,20);/q;+1/p-1