9-methyl-8-(4-methylsulfonylphenyl)-6-phenylsulfanyl-purine

Systemtic Name: 9-methyl-8-(4-methylsulfonylphenyl)-6-phenylsulfanyl-purine Openeye Name: 9-methyl-8-(4-methylsulfonylphenyl)-6-phenylsulfanyl-purine CAS Name: 9-methyl-8-(4-methylsulfonylphenyl)-6-(phenylthio)purine IUPAC Name: 9-methyl-8-(4-methylsulfonylphenyl)-6-phenylsulfanylpurine Traditional Name: 8-(4-mesylphenyl)-9-methyl-6-(phenylthio)purine Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)SC3=CC=CC=C3)N=C1C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C(=NC=N2)SC3=CC=CC=C3)N=C1C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C19H16N4O2S2/c1-23-17(13-8-10-15(11-9-13)27(2,24)25)22-16-18(23)20-12-21-19(16)26-14-6-4-3-5-7-14/h3-12H,1-2H3