2-(cyanomethylsulfanyl)-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-(cyanomethylsulfanyl)-6-propyl-pyrimidin-4-olate Openeye Name: 2-(cyanomethylsulfanyl)-6-propyl-pyrimidin-4-olate CAS Name: 2-(cyanomethylthio)-6-propyl-4-pyrimidinolate IUPAC Name: 2-(cyanomethylsulfanyl)-6-propylpyrimidin-4-olate Traditional Name: 2-(cyanomethylthio)-6-propyl-pyrimidin-4-olate Formula: C9H10N3OS- MolecularWeight: 208.2602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC#N)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC#N)[O-]

InChI

InChI=1S/C9H11N3OS/c1-2-3-7-6-8(13)12-9(11-7)14-5-4-10/h6H,2-3,5H2,1H3,(H,11,12,13)/p-1