6-tert-butyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-tert-butyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-tert-butyl-pyrimidin-4-olate CAS Name: 6-tert-butyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-tert-butylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-tert-butyl-pyrimidin-4-olate Formula: C15H17N2OS- MolecularWeight: 273.37328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H18N2OS/c1-15(2,3)12-9-13(18)17-14(16-12)19-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,16,17,18)/p-1