2-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-5-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-5-methyl-pyrimidin-4-olate Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-5-methyl-pyrimidin-4-olate CAS Name: 2-[(4-chlorophenyl)methylthio]-6-ethyl-5-methyl-4-pyrimidinolate IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-ethyl-5-methylpyrimidin-4-olate Traditional Name: 2-[(4-chlorobenzyl)thio]-6-ethyl-5-methyl-pyrimidin-4-olate Formula: C14H14ClN2OS- MolecularWeight: 293.79176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)Cl)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)Cl)[O-])C

InChI

InChI=1S/C14H15ClN2OS/c1-3-12-9(2)13(18)17-14(16-12)19-8-10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3,(H,16,17,18)/p-1