sodium 5-(butylsulfanylmethyl)-1-methyl-4,6-bis(oxidanylidene)-5-propyl-pyrimidin-2-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1(C(=O)N=C(N(C1=O)C)[O-])CCC.[Na+]

Isomeric SMILES

CCCCSCC1(C(=O)N=C(N(C1=O)C)[O-])CCC.[Na+]

InChI

InChI=1S/C13H22N2O3S.Na/c1-4-6-8-19-9-13(7-5-2)10(16)14-12(18)15(3)11(13)17;/h4-9H2,1-3H3,(H,14,16,18);/q;+1/p-1