sodium 5-[(E)-but-2-enyl]-5-(3-methylbutyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-[(E)-but-2-enyl]-5-(3-methylbutyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-[(E)-but-2-enyl]-5-isopentyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-[(E)-but-2-enyl]-5-(3-methylbutyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-[(E)-but-2-enyl]-5-(3-methylbutyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-[(E)-but-2-enyl]-5-isoamyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C13H19N2NaO2S MolecularWeight: 290.35693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/CC1(C(=O)NC(=S)N=C1[O-])CCC(C)C.[Na+]

InChI

InChI=1S/C13H20N2O2S.Na/c1-4-5-7-13(8-6-9(2)3)10(16)14-12(18)15-11(13)17;/h4-5,9H,6-8H2,1-3H3,(H2,14,15,16,17,18);/q;+1/p-1/b5-4+;