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

Systemtic Name: sodium 5-butan-2-yl-5-[(E)-but-2-enyl]-4,6-bis(oxidanylidene)-1H-pyrimidine-2-thiolate Openeye Name: sodium 5-[(E)-but-2-enyl]-4,6-dioxo-5-sec-butyl-1H-pyrimidine-2-thiolate CAS Name: sodium 5-butan-2-yl-5-[(E)-but-2-enyl]-4,6-dioxo-1H-pyrimidine-2-thiolate IUPAC Name: sodium 5-butan-2-yl-5-[(E)-but-2-enyl]-4,6-dioxo-1H-pyrimidine-2-thiolate Traditional Name: sodium 5-[(E)-but-2-enyl]-4,6-diketo-5-sec-butyl-1H-pyrimidine-2-thiolate Formula: C12H17N2NaO2S MolecularWeight: 276.33035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2S.Na/c1-4-6-7-12(8(3)5-2)9(15)13-11(17)14-10(12)16;/h4,6,8H,5,7H2,1-3H3,(H2,13,14,15,16,17);/q;+1/p-1/b6-4+;