sodium 5-ethyl-1-methyl-6-oxidanylidene-5-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-ethyl-1-methyl-6-oxidanylidene-5-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-benzyl-5-ethyl-1-methyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-ethyl-1-methyl-6-oxo-5-(phenylmethyl)-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-benzyl-5-ethyl-1-methyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-benzyl-5-ethyl-6-keto-1-methyl-2-thioxo-pyrimidin-4-olate Formula: C14H15N2NaO2S MolecularWeight: 298.33587

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=NC(=S)N(C1=O)C)[O-])CC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCC1(C(=NC(=S)N(C1=O)C)[O-])CC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C14H16N2O2S.Na/c1-3-14(9-10-7-5-4-6-8-10)11(17)15-13(19)16(2)12(14)18;/h4-8H,3,9H2,1-2H3,(H,15,17,19);/q;+1/p-1