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

Systemtic Name: 2-(naphthalen-1-ylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-(1-naphthylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-(1-naphthalenylmethylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-(naphthalen-1-ylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-(1-naphthylmethylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C18H16N2OS MolecularWeight: 308.39744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C18H16N2OS/c21-17-15-9-4-10-16(15)19-18(20-17)22-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8H,4,9-11H2,(H,19,20,21)