2-[2-(3-chloranylphenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(3-chloranylphenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3-chlorophenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-(3-chlorophenoxy)ethylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3-chlorophenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[2-(3-chlorophenoxy)ethylthio]-6-methyl-1H-pyrimidin-4-one Formula: C13H13ClN2O2S MolecularWeight: 296.77252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCOC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCOC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H13ClN2O2S/c1-9-7-12(17)16-13(15-9)19-6-5-18-11-4-2-3-10(14)8-11/h2-4,7-8H,5-6H2,1H3,(H,15,16,17)