sodium 5-butyl-6-oxidanylidene-5-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=S)N=C1[O-])CC2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCC1(C(=O)NC(=S)N=C1[O-])CC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C15H18N2O2S.Na/c1-2-3-9-15(10-11-7-5-4-6-8-11)12(18)16-14(20)17-13(15)19;/h4-8H,2-3,9-10H2,1H3,(H2,16,17,18,19,20);/q;+1/p-1