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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S.Na/c1-5-8-13(9(6-2)7-3)10(16)14-12(18)15(4)11(13)17;/h5,9H,1,6-8H2,2-4H3,(H,14,16,18);/q;+1/p-1