sodium 5-butan-2-yl-5-(2-methylprop-2-enyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-butan-2-yl-5-(2-methylprop-2-enyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-(2-methylallyl)-6-oxo-5-sec-butyl-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-butan-2-yl-5-(2-methylprop-2-enyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-butan-2-yl-5-(2-methylprop-2-enyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 6-keto-5-(2-methylallyl)-5-sec-butyl-2-thioxo-pyrimidin-4-olate Formula: C12H17N2NaO2S MolecularWeight: 276.33035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2S.Na/c1-5-8(4)12(6-7(2)3)9(15)13-11(17)14-10(12)16;/h8H,2,5-6H2,1,3-4H3,(H2,13,14,15,16,17);/q;+1/p-1