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

Systemtic Name: 3-[(4-bromophenyl)methyl]-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Openeye Name: 3-[(4-bromophenyl)methyl]-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one CAS Name: 3-[(4-bromophenyl)methyl]-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one IUPAC Name: 3-[(4-bromophenyl)methyl]-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Traditional Name: 3-(4-bromobenzyl)-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Formula: C22H21BrN2OS MolecularWeight: 441.38394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N(C2=O)CC3=CC=C(C=C3)Br)SCCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)N=C(N(C2=O)CC3=CC=C(C=C3)Br)SCCC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN2OS/c23-18-11-9-17(10-12-18)15-25-21(26)19-7-4-8-20(19)24-22(25)27-14-13-16-5-2-1-3-6-16/h1-3,5-6,9-12H,4,7-8,13-15H2