6-propyl-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-propyl-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-propyl-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-propyl-2-(3-pyridinylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-propyl-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-propyl-2-(3-pyridylmethylthio)-1H-pyrimidin-4-one Formula: C13H15N3OS MolecularWeight: 261.3427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3OS/c1-2-4-11-7-12(17)16-13(15-11)18-9-10-5-3-6-14-8-10/h3,5-8H,2,4,9H2,1H3,(H,15,16,17)