sodium 5-(ethylsulfanylmethyl)-5-hexyl-pyrimidin-3-ide-2,4,6-trione

Systemtic Name: sodium 5-(ethylsulfanylmethyl)-5-hexyl-pyrimidin-3-ide-2,4,6-trione Openeye Name: sodium 5-(ethylsulfanylmethyl)-5-hexyl-hexahydropyrimidin-3-ide-2,4,6-trione CAS Name: sodium 5-[(ethylthio)methyl]-5-hexylpyrimidin-3-ide-2,4,6-trione IUPAC Name: sodium 5-(ethylsulfanylmethyl)-5-hexylpyrimidin-3-ide-2,4,6-trione Traditional Name: sodium 5-[(ethylthio)methyl]-5-hexyl-hexahydropyrimidin-3-ide-2,4,6-trione Formula: C13H21N2NaO3S MolecularWeight: 308.37221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(=O)NC(=O)[N-]C1=O)CSCC.[Na+]

Isomeric SMILES

CCCCCCC1(C(=O)NC(=O)[N-]C1=O)CSCC.[Na+]

InChI

InChI=1S/C13H22N2O3S.Na/c1-3-5-6-7-8-13(9-19-4-2)10(16)14-12(18)15-11(13)17;/h3-9H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1