2,6,8-tris(methylsulfanyl)-9-phenyl-purine

Systemtic Name: 2,6,8-tris(methylsulfanyl)-9-phenyl-purine Openeye Name: 2,6,8-tris(methylsulfanyl)-9-phenyl-purine CAS Name: 2,6,8-tris(methylthio)-9-phenylpurine IUPAC Name: 2,6,8-tris(methylsulfanyl)-9-phenylpurine Traditional Name: 2,6,8-tris(methylthio)-9-phenyl-purine Formula: C14H14N4S3 MolecularWeight: 334.48276

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)SC)SC

Isomeric SMILES

CSC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)SC)SC

InChI

InChI=1S/C14H14N4S3/c1-19-12-10-11(16-13(17-12)20-2)18(14(15-10)21-3)9-7-5-4-6-8-9/h4-8H,1-3H3