sodium 5-(2-bromanylprop-2-enyl)-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate

Systemtic Name: sodium 5-(2-bromanylprop-2-enyl)-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate Openeye Name: sodium 5-(2-bromoallyl)-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: sodium 5-(2-bromoprop-2-enyl)-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate IUPAC Name: sodium 5-(2-bromoprop-2-enyl)-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate Traditional Name: sodium 5-(2-bromoallyl)-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate Formula: C12H16BrN2NaO3 MolecularWeight: 339.16081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O3.Na/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17;/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1