2-(phenylmethylsulfanyl)-5-prop-2-enyl-1H-pyrimidin-6-one

Systemtic Name: 2-(phenylmethylsulfanyl)-5-prop-2-enyl-1H-pyrimidin-6-one Openeye Name: 5-allyl-2-benzylsulfanyl-1H-pyrimidin-6-one CAS Name: 2-(phenylmethylthio)-5-prop-2-enyl-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one Traditional Name: 5-allyl-2-(benzylthio)-1H-pyrimidin-6-one Formula: C14H14N2OS MolecularWeight: 258.33876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CN=C(NC1=O)SCC2=CC=CC=C2

Isomeric SMILES

C=CCC1=CN=C(NC1=O)SCC2=CC=CC=C2

InChI

InChI=1S/C14H14N2OS/c1-2-6-12-9-15-14(16-13(12)17)18-10-11-7-4-3-5-8-11/h2-5,7-9H,1,6,10H2,(H,15,16,17)