sodium 1-methyl-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-pyrimidin-3-ide-4,6-dione

Systemtic Name: sodium 1-methyl-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-pyrimidin-3-ide-4,6-dione Openeye Name: sodium 5-allyl-1-methyl-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidin-3-ide-4,6-dione CAS Name: sodium 1-methyl-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione IUPAC Name: sodium 1-methyl-5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidenepyrimidin-3-ide-4,6-dione Traditional Name: sodium 5-allyl-1-methyl-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidin-3-ide-4,6-quinone Formula: C13H19N2NaO2S MolecularWeight: 290.35693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S.Na/c1-5-7-9(3)13(8-6-2)10(16)14-12(18)15(4)11(13)17;/h6,9H,2,5,7-8H2,1,3-4H3,(H,14,16,18);/q;+1/p-1