sodium 5-[(E)-but-2-enyl]-5-butyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-[(E)-but-2-enyl]-5-butyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-[(E)-but-2-enyl]-5-butyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-[(E)-but-2-enyl]-5-butyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-[(E)-but-2-enyl]-5-butyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-[(E)-but-2-enyl]-5-butyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C12H17N2NaO2S MolecularWeight: 276.33035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=S)N=C1[O-])CC=CC.[Na+]

Isomeric SMILES

CCCCC1(C(=O)NC(=S)N=C1[O-])C/C=C/C.[Na+]

InChI

InChI=1S/C12H18N2O2S.Na/c1-3-5-7-12(8-6-4-2)9(15)13-11(17)14-10(12)16;/h3,5H,4,6-8H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1/b5-3+;