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

Systemtic Name: 2-(4-phenoxybutylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Openeye Name: 2-(4-phenoxybutylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one CAS Name: 2-(4-phenoxybutylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one IUPAC Name: 2-(4-phenoxybutylsulfanyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Traditional Name: 2-(4-phenoxybutylthio)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)NC(=NC2=O)SCCCCOC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)NC(=NC2=O)SCCCCOC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O2S/c20-16-14-9-6-10-15(14)18-17(19-16)22-12-5-4-11-21-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,18,19,20)