sodium 5-but-3-en-2-yl-5-(3-methylbutyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 5-but-3-en-2-yl-5-(3-methylbutyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-isopentyl-5-(1-methylallyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 5-but-3-en-2-yl-5-(3-methylbutyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-but-3-en-2-yl-5-(3-methylbutyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-isoamyl-6-keto-5-(1-methylallyl)-2-thioxo-pyrimidin-4-olate 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