6-phenethylsulfonylsulfanyl-7H-purine

Systemtic Name: 6-phenethylsulfonylsulfanyl-7H-purine Openeye Name: 6-phenethylsulfonylsulfanyl-7H-purine CAS Name: 6-(phenethylsulfonylthio)-7H-purine IUPAC Name: 6-phenethylsulfonylsulfanyl-7H-purine Traditional Name: 6-(phenethylsulfonylthio)-7H-purine Formula: C13H12N4O2S2 MolecularWeight: 320.38998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)SC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C13H12N4O2S2/c18-21(19,7-6-10-4-2-1-3-5-10)20-13-11-12(15-8-14-11)16-9-17-13/h1-5,8-9H,6-7H2,(H,14,15,16,17)