1-methyl-2-(phenylmethylsulfanyl)-9-(triphenylmethyl)purin-6-one

Systemtic Name: 1-methyl-2-(phenylmethylsulfanyl)-9-(triphenylmethyl)purin-6-one Openeye Name: 2-benzylsulfanyl-1-methyl-9-trityl-purin-6-one CAS Name: 1-methyl-2-(phenylmethylthio)-9-(triphenylmethyl)-6-purinone IUPAC Name: 2-benzylsulfanyl-1-methyl-9-tritylpurin-6-one Traditional Name: 2-(benzylthio)-1-methyl-9-trityl-purin-6-one Formula: C32H26N4OS MolecularWeight: 514.64004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)N(C=N2)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)N(C=N2)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H26N4OS/c1-35-30(37)28-29(34-31(35)38-22-24-14-6-2-7-15-24)36(23-33-28)32(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,23H,22H2,1H3