2-[3-(2-chloranylphenoxy)propylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[3-(2-chloranylphenoxy)propylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[3-(2-chlorophenoxy)propylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[3-(2-chlorophenoxy)propylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[3-(2-chlorophenoxy)propylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[3-(2-chlorophenoxy)propylthio]-6-methyl-pyrimidin-4-olate Formula: C14H14ClN2O2S- MolecularWeight: 309.79116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCOC2=CC=CC=C2Cl)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCOC2=CC=CC=C2Cl)[O-]

InChI

InChI=1S/C14H15ClN2O2S/c1-10-9-13(18)17-14(16-10)20-8-4-7-19-12-6-3-2-5-11(12)15/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17,18)/p-1