sodium 5,5-diethyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5,5-diethyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 1-allyl-5,5-diethyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5,5-diethyl-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5,5-diethyl-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 1-allyl-5,5-diethyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C11H15N2NaO2S MolecularWeight: 262.30377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O2S.Na/c1-4-7-13-9(15)11(5-2,6-3)8(14)12-10(13)16;/h4H,1,5-7H2,2-3H3,(H,12,14,16);/q;+1/p-1