sodium 5-[(E)-but-2-enyl]-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidine-2-thiolate

Systemtic Name: sodium 5-[(E)-but-2-enyl]-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidine-2-thiolate Openeye Name: sodium 5-[(E)-but-2-enyl]-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidine-2-thiolate CAS Name: sodium 5-[(E)-but-2-enyl]-4,6-dioxo-5-pentan-2-yl-1H-pyrimidine-2-thiolate IUPAC Name: sodium 5-[(E)-but-2-enyl]-4,6-dioxo-5-pentan-2-yl-1H-pyrimidine-2-thiolate Traditional Name: sodium 5-[(E)-but-2-enyl]-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidine-2-thiolate Formula: C13H19N2NaO2S MolecularWeight: 290.35693

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=NC1=O)[S-])CC=CC.[Na+]

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=NC1=O)[S-])C/C=C/C.[Na+]

InChI

InChI=1S/C13H20N2O2S.Na/c1-4-6-8-13(9(3)7-5-2)10(16)14-12(18)15-11(13)17;/h4,6,9H,5,7-8H2,1-3H3,(H2,14,15,16,17,18);/q;+1/p-1/b6-4+;