9-methyl-6-[(4-phenylmethoxyphenyl)methylsulfanyl]purine

Systemtic Name: 9-methyl-6-[(4-phenylmethoxyphenyl)methylsulfanyl]purine Openeye Name: 6-[(4-benzyloxyphenyl)methylsulfanyl]-9-methyl-purine CAS Name: 9-methyl-6-[(4-phenylmethoxyphenyl)methylthio]purine IUPAC Name: 9-methyl-6-[(4-phenylmethoxyphenyl)methylsulfanyl]purine Traditional Name: 6-[(4-benzoxybenzyl)thio]-9-methyl-purine Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=CN=C2SCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1N=CN=C2SCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-24-14-23-18-19(24)21-13-22-20(18)26-12-16-7-9-17(10-8-16)25-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3