2-(phenylmethylsulfanyl)-9-(triphenylmethyl)-3H-purin-6-one

Systemtic Name: 2-(phenylmethylsulfanyl)-9-(triphenylmethyl)-3H-purin-6-one Openeye Name: 2-benzylsulfanyl-9-trityl-3H-purin-6-one CAS Name: 2-(phenylmethylthio)-9-(triphenylmethyl)-3H-purin-6-one IUPAC Name: 2-benzylsulfanyl-9-trityl-3H-purin-6-one Traditional Name: 2-(benzylthio)-9-trityl-3H-purin-6-one Formula: C31H24N4OS MolecularWeight: 500.61346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H24N4OS/c36-29-27-28(33-30(34-29)37-21-23-13-5-1-6-14-23)35(22-32-27)31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22H,21H2,(H,33,34,36)