sodium 5-(butylsulfanylmethyl)-4,6-bis(oxidanylidene)-5-propyl-1H-pyrimidin-2-olate

Systemtic Name: sodium 5-(butylsulfanylmethyl)-4,6-bis(oxidanylidene)-5-propyl-1H-pyrimidin-2-olate Openeye Name: sodium 5-(butylsulfanylmethyl)-4,6-dioxo-5-propyl-1H-pyrimidin-2-olate CAS Name: sodium 5-[(butylthio)methyl]-4,6-dioxo-5-propyl-1H-pyrimidin-2-olate IUPAC Name: sodium 5-(butylsulfanylmethyl)-4,6-dioxo-5-propyl-1H-pyrimidin-2-olate Traditional Name: sodium 5-[(butylthio)methyl]-4,6-diketo-5-propyl-1H-pyrimidin-2-olate Formula: C12H19N2NaO3S MolecularWeight: 294.34563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1(C(=O)NC(=NC1=O)[O-])CCC.[Na+]

Isomeric SMILES

CCCCSCC1(C(=O)NC(=NC1=O)[O-])CCC.[Na+]

InChI

InChI=1S/C12H20N2O3S.Na/c1-3-5-7-18-8-12(6-4-2)9(15)13-11(17)14-10(12)16;/h3-8H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1