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

Systemtic Name: sodium 5-[(E)-but-2-enyl]-6-oxidanylidene-5-pentan-2-yl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-[(E)-but-2-enyl]-5-(1-methylbutyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-[(E)-but-2-enyl]-6-oxo-5-pentan-2-yl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-[(E)-but-2-enyl]-6-oxo-5-pentan-2-yl-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-[(E)-but-2-enyl]-6-keto-5-(1-methylbutyl)-2-thioxo-pyrimidin-4-olate Formula: C13H19N2NaO2S MolecularWeight: 290.35693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S.Na/c1-4-6-8-13(9(3)7-5-2)10(16)14-12(18)15-11(13)17;/h4,6,9H,5,7-8H2,1-3H3,(H2,14,15,16,17,18);/q;+1/p-1/b6-4+;