sodium 5-but-3-en-2-yl-5-(2-methylpropyl)-2-sulfanylidene-pyrimidin-3-ide-4,6-dione

Systemtic Name: sodium 5-but-3-en-2-yl-5-(2-methylpropyl)-2-sulfanylidene-pyrimidin-3-ide-4,6-dione Openeye Name: sodium 5-isobutyl-5-(1-methylallyl)-2-thioxo-hexahydropyrimidin-3-ide-4,6-dione CAS Name: sodium 5-but-3-en-2-yl-5-(2-methylpropyl)-2-sulfanylidenepyrimidin-3-ide-4,6-dione IUPAC Name: sodium 5-but-3-en-2-yl-5-(2-methylpropyl)-2-sulfanylidenepyrimidin-3-ide-4,6-dione Traditional Name: sodium 5-isobutyl-5-(1-methylallyl)-2-thioxo-hexahydropyrimidin-3-ide-4,6-quinone Formula: C12H17N2NaO2S MolecularWeight: 276.33035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2S.Na/c1-5-8(4)12(6-7(2)3)9(15)13-11(17)14-10(12)16;/h5,7-8H,1,6H2,2-4H3,(H2,13,14,15,16,17);/q;+1/p-1