5-ethyl-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-ethyl-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 5-ethyl-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C14H15N2OS- MolecularWeight: 259.3467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

InChI

InChI=1S/C14H16N2OS/c1-3-12-10(2)15-14(16-13(12)17)18-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16,17)/p-1