9-[(4-methoxyphenyl)methyl]-2-phenyl-6-(phenylmethylsulfanyl)purine

Systemtic Name: 9-[(4-methoxyphenyl)methyl]-2-phenyl-6-(phenylmethylsulfanyl)purine Openeye Name: 6-benzylsulfanyl-9-[(4-methoxyphenyl)methyl]-2-phenyl-purine CAS Name: 9-[(4-methoxyphenyl)methyl]-2-phenyl-6-(phenylmethylthio)purine IUPAC Name: 6-benzylsulfanyl-9-[(4-methoxyphenyl)methyl]-2-phenylpurine Traditional Name: 6-(benzylthio)-9-p-anisyl-2-phenyl-purine Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4OS/c1-31-22-14-12-19(13-15-22)16-30-18-27-23-25(30)28-24(21-10-6-3-7-11-21)29-26(23)32-17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3