2-(phenylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-(phenylmethylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C14H14N2OS MolecularWeight: 258.33876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=CC=C3

InChI

InChI=1S/C14H14N2OS/c17-13-11-7-4-8-12(11)15-14(16-13)18-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,16,17)