3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methyl]-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl]-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methyl]-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Traditional Name: 3-(2-chloro-6-fluoro-benzyl)-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Formula: C22H20ClFN2OS MolecularWeight: 414.923403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N(C2=O)CC3=C(C=CC=C3Cl)F)SCCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)N=C(N(C2=O)CC3=C(C=CC=C3Cl)F)SCCC4=CC=CC=C4

InChI

InChI=1S/C22H20ClFN2OS/c23-18-9-5-10-19(24)17(18)14-26-21(27)16-8-4-11-20(16)25-22(26)28-13-12-15-6-2-1-3-7-15/h1-3,5-7,9-10H,4,8,11-14H2