2-phenethylsulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-phenethylsulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-phenethylsulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-(phenethylthio)-6-propyl-4-pyrimidinolate IUPAC Name: 2-phenethylsulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-(phenethylthio)-6-propyl-pyrimidin-4-olate Formula: C15H17N2OS- MolecularWeight: 273.37328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCCC2=CC=CC=C2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H18N2OS/c1-2-6-13-11-14(18)17-15(16-13)19-10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,17,18)/p-1