sodium 5-ethyl-5-(3-methylbutyl)-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-ethyl-5-(3-methylbutyl)-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 1-allyl-5-ethyl-5-isopentyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-ethyl-5-(3-methylbutyl)-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-ethyl-5-(3-methylbutyl)-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 1-allyl-5-ethyl-5-isoamyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C14H21N2NaO2S MolecularWeight: 304.38351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2S.Na/c1-5-9-16-12(18)14(6-2,8-7-10(3)4)11(17)15-13(16)19;/h5,10H,1,6-9H2,2-4H3,(H,15,17,19);/q;+1/p-1