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

Systemtic Name: sodium 5,5-bis(2-cyclohexylethyl)-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate Openeye Name: sodium 5,5-bis(2-cyclohexylethyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 5,5-bis(2-cyclohexylethyl)-4,6-dioxo-1H-pyrimidin-2-olate IUPAC Name: sodium 5,5-bis(2-cyclohexylethyl)-4,6-dioxo-1H-pyrimidin-2-olate Traditional Name: sodium 5,5-bis(2-cyclohexylethyl)-4,6-diketo-1H-pyrimidin-2-olate Formula: C20H31N2NaO3 MolecularWeight: 370.46151

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2(C(=O)NC(=NC2=O)[O-])CCC3CCCCC3.[Na+]

Isomeric SMILES

C1CCC(CC1)CCC2(C(=O)NC(=NC2=O)[O-])CCC3CCCCC3.[Na+]

InChI

InChI=1S/C20H32N2O3.Na/c23-17-20(18(24)22-19(25)21-17,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h15-16H,1-14H2,(H2,21,22,23,24,25);/q;+1/p-1