sodium 5-butan-2-yl-5-(butylsulfanylmethyl)-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate

Systemtic Name: sodium 5-butan-2-yl-5-(butylsulfanylmethyl)-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate Openeye Name: sodium 5-(butylsulfanylmethyl)-4,6-dioxo-5-sec-butyl-1H-pyrimidin-2-olate CAS Name: sodium 5-butan-2-yl-5-[(butylthio)methyl]-4,6-dioxo-1H-pyrimidin-2-olate IUPAC Name: sodium 5-butan-2-yl-5-(butylsulfanylmethyl)-4,6-dioxo-1H-pyrimidin-2-olate Traditional Name: sodium 5-[(butylthio)methyl]-4,6-diketo-5-sec-butyl-1H-pyrimidin-2-olate Formula: C13H21N2NaO3S MolecularWeight: 308.37221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1(C(=O)NC(=NC1=O)[O-])C(C)CC.[Na+]

Isomeric SMILES

CCCCSCC1(C(=O)NC(=NC1=O)[O-])C(C)CC.[Na+]

InChI

InChI=1S/C13H22N2O3S.Na/c1-4-6-7-19-8-13(9(3)5-2)10(16)14-12(18)15-11(13)17;/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18);/q;+1/p-1