2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(6-chloro-3-pyridyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(6-chloro-3-pyridinyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(6-chloropyridin-3-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(6-chloro-3-pyridyl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C13H14ClN3OS MolecularWeight: 295.78776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CN=C(C=C2)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3OS/c1-2-3-10-6-12(18)17-13(16-10)19-8-9-4-5-11(14)15-7-9/h4-7H,2-3,8H2,1H3,(H,16,17,18)