sodium 4,6-bis(oxidanylidene)-5-pentan-2-yl-5-(prop-2-enylsulfanylmethyl)-1H-pyrimidin-2-olate

Systemtic Name: sodium 4,6-bis(oxidanylidene)-5-pentan-2-yl-5-(prop-2-enylsulfanylmethyl)-1H-pyrimidin-2-olate Openeye Name: sodium 5-(allylsulfanylmethyl)-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 4,6-dioxo-5-pentan-2-yl-5-[(prop-2-enylthio)methyl]-1H-pyrimidin-2-olate IUPAC Name: sodium 4,6-dioxo-5-pentan-2-yl-5-(prop-2-enylsulfanylmethyl)-1H-pyrimidin-2-olate Traditional Name: sodium 5-[(allylthio)methyl]-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate Formula: C13H19N2NaO3S MolecularWeight: 306.35633

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CSCC=C.[Na+]

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CSCC=C.[Na+]

InChI

InChI=1S/C13H20N2O3S.Na/c1-4-6-9(3)13(8-19-7-5-2)10(16)14-12(18)15-11(13)17;/h5,9H,2,4,6-8H2,1,3H3,(H2,14,15,16,17,18);/q;+1/p-1