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

Systemtic Name: 4-(pyridin-2-ylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one Openeye Name: 4-(2-pyridylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one CAS Name: 4-(2-pyridinylmethylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one IUPAC Name: 4-(pyridin-2-ylmethylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one Traditional Name: 4-(2-pyridylmethylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=O)N=C2SCC3=CC=CC=N3

Isomeric SMILES

C1CC2=C(C1)NC(=O)N=C2SCC3=CC=CC=N3

InChI

InChI=1S/C13H13N3OS/c17-13-15-11-6-3-5-10(11)12(16-13)18-8-9-4-1-2-7-14-9/h1-2,4,7H,3,5-6,8H2,(H,15,16,17)