sodium 1,5-diethyl-6-oxidanylidene-5-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 1,5-diethyl-6-oxidanylidene-5-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-benzyl-1,5-diethyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 1,5-diethyl-6-oxo-5-(phenylmethyl)-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-benzyl-1,5-diethyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-benzyl-1,5-diethyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C15H17N2NaO2S MolecularWeight: 312.36245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S.Na/c1-3-15(10-11-8-6-5-7-9-11)12(18)16-14(20)17(4-2)13(15)19;/h5-9H,3-4,10H2,1-2H3,(H,16,18,20);/q;+1/p-1