sodium 5-butan-2-yl-4,6-bis(oxidanylidene)-5-prop-2-enyl-1H-pyrimidine-2-thiolate

Systemtic Name: sodium 5-butan-2-yl-4,6-bis(oxidanylidene)-5-prop-2-enyl-1H-pyrimidine-2-thiolate Openeye Name: sodium 5-allyl-4,6-dioxo-5-sec-butyl-1H-pyrimidine-2-thiolate CAS Name: sodium 5-butan-2-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate IUPAC Name: sodium 5-butan-2-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate Traditional Name: sodium 5-allyl-4,6-diketo-5-sec-butyl-1H-pyrimidine-2-thiolate Formula: C11H15N2NaO2S MolecularWeight: 262.30377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O2S.Na/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15;/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16);/q;+1/p-1