disodium 5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxidanylidene-pyrimidine-2,4-diolate

Systemtic Name: disodium 5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxidanylidene-pyrimidine-2,4-diolate Openeye Name: disodium 5-butyl-5-[2-(1-naphthyl)ethyl]-6-oxo-pyrimidine-2,4-diolate CAS Name: disodium 5-butyl-5-[2-(1-naphthalenyl)ethyl]-6-oxopyrimidine-2,4-diolate IUPAC Name: disodium 5-butyl-5-(2-naphthalen-1-ylethyl)-6-oxopyrimidine-2,4-diolate Traditional Name: disodium 5-butyl-6-keto-5-[2-(1-naphthyl)ethyl]pyrimidine-2,4-diolate Formula: C20H20N2Na2O3 MolecularWeight: 382.36394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=NC(=NC1=O)[O-])[O-])CCC2=CC=CC3=CC=CC=C32.[Na+].[Na+]

Isomeric SMILES

CCCCC1(C(=NC(=NC1=O)[O-])[O-])CCC2=CC=CC3=CC=CC=C32.[Na+].[Na+]

InChI

InChI=1S/C20H22N2O3.2Na/c1-2-3-12-20(17(23)21-19(25)22-18(20)24)13-11-15-9-6-8-14-7-4-5-10-16(14)15;;/h4-10H,2-3,11-13H2,1H3,(H2,21,22,23,24,25);;/q;2*+1/p-2