sodium 5-(ethylsulfanylmethyl)-5-pentan-2-yl-2-sulfanylidene-pyrimidin-3-ide-4,6-dione

Systemtic Name: sodium 5-(ethylsulfanylmethyl)-5-pentan-2-yl-2-sulfanylidene-pyrimidin-3-ide-4,6-dione Openeye Name: sodium 5-(ethylsulfanylmethyl)-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidin-3-ide-4,6-dione CAS Name: sodium 5-[(ethylthio)methyl]-5-pentan-2-yl-2-sulfanylidenepyrimidin-3-ide-4,6-dione IUPAC Name: sodium 5-(ethylsulfanylmethyl)-5-pentan-2-yl-2-sulfanylidenepyrimidin-3-ide-4,6-dione Traditional Name: sodium 5-[(ethylthio)methyl]-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidin-3-ide-4,6-quinone Formula: C12H19N2NaO2S2 MolecularWeight: 310.41123

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=S)[N-]C1=O)CSCC.[Na+]

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=S)[N-]C1=O)CSCC.[Na+]

InChI

InChI=1S/C12H20N2O2S2.Na/c1-4-6-8(3)12(7-18-5-2)9(15)13-11(17)14-10(12)16;/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17);/q;+1/p-1