1-(4-methylphenyl)-4-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

Systemtic Name: 1-(4-methylphenyl)-4-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Openeye Name: 4-benzylsulfanyl-1-(p-tolyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one CAS Name: 1-(4-methylphenyl)-4-(phenylmethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one IUPAC Name: 4-benzylsulfanyl-1-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Traditional Name: 4-(benzylthio)-1-(p-tolyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(CCC3)C(=NC2=O)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(CCC3)C(=NC2=O)SCC4=CC=CC=C4

InChI

InChI=1S/C21H20N2OS/c1-15-10-12-17(13-11-15)23-19-9-5-8-18(19)20(22-21(23)24)25-14-16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3