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

Systemtic Name: sodium 5-but-3-en-2-yl-5-(3-methylbutyl)-2-sulfanylidene-pyrimidin-3-ide-4,6-dione Openeye Name: sodium 5-isopentyl-5-(1-methylallyl)-2-thioxo-hexahydropyrimidin-3-ide-4,6-dione CAS Name: sodium 5-but-3-en-2-yl-5-(3-methylbutyl)-2-sulfanylidenepyrimidin-3-ide-4,6-dione IUPAC Name: sodium 5-but-3-en-2-yl-5-(3-methylbutyl)-2-sulfanylidenepyrimidin-3-ide-4,6-dione Traditional Name: sodium 5-isoamyl-5-(1-methylallyl)-2-thioxo-hexahydropyrimidin-3-ide-4,6-quinone Formula: C13H19N2NaO2S MolecularWeight: 290.35693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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