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

Systemtic Name: 3-(diphenylmethyl)-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Openeye Name: 3-benzhydryl-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one CAS Name: 3-(diphenylmethyl)-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one IUPAC Name: 3-benzhydryl-2-phenethylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Traditional Name: 3-benzhydryl-2-(phenethylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one Formula: C28H26N2OS MolecularWeight: 438.58384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N(C2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)SCCC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)N=C(N(C2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)SCCC5=CC=CC=C5

InChI

InChI=1S/C28H26N2OS/c31-27-24-17-10-18-25(24)29-28(32-20-19-21-11-4-1-5-12-21)30(27)26(22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,26H,10,17-20H2