2-chloranyl-6-octylsulfanyl-7H-purine

Systemtic Name: 2-chloranyl-6-octylsulfanyl-7H-purine Openeye Name: 2-chloro-6-octylsulfanyl-7H-purine CAS Name: 2-chloro-6-(octylthio)-7H-purine IUPAC Name: 2-chloro-6-octylsulfanyl-7H-purine Traditional Name: 2-chloro-6-(octylthio)-7H-purine Formula: C13H19ClN4S MolecularWeight: 298.83476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC2=C1NC=N2)Cl

Isomeric SMILES

CCCCCCCCSC1=NC(=NC2=C1NC=N2)Cl

InChI

InChI=1S/C13H19ClN4S/c1-2-3-4-5-6-7-8-19-12-10-11(16-9-15-10)17-13(14)18-12/h9H,2-8H2,1H3,(H,15,16,17,18)