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

Systemtic Name: sodium 5-ethyl-4,6-bis(oxidanylidene)-5-(1-propan-2-ylsulfanylpropyl)-1H-pyrimidin-2-olate Openeye Name: sodium 5-ethyl-5-(1-isopropylsulfanylpropyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 5-ethyl-4,6-dioxo-5-[1-(propan-2-ylthio)propyl]-1H-pyrimidin-2-olate IUPAC Name: sodium 5-ethyl-4,6-dioxo-5-(1-propan-2-ylsulfanylpropyl)-1H-pyrimidin-2-olate Traditional Name: sodium 5-ethyl-5-[1-(isopropylthio)propyl]-4,6-diketo-1H-pyrimidin-2-olate Formula: C12H19N2NaO3S MolecularWeight: 294.34563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(C(=O)NC(=NC1=O)[O-])CC)SC(C)C.[Na+]

Isomeric SMILES

CCC(C1(C(=O)NC(=NC1=O)[O-])CC)SC(C)C.[Na+]

InChI

InChI=1S/C12H20N2O3S.Na/c1-5-8(18-7(3)4)12(6-2)9(15)13-11(17)14-10(12)16;/h7-8H,5-6H2,1-4H3,(H2,13,14,15,16,17);/q;+1/p-1