2-octylsulfanyl-7H-purine

Systemtic Name: 2-octylsulfanyl-7H-purine Openeye Name: 2-octylsulfanyl-7H-purine CAS Name: 2-(octylthio)-7H-purine IUPAC Name: 2-octylsulfanyl-7H-purine Traditional Name: 2-(octylthio)-7H-purine Formula: C13H20N4S MolecularWeight: 264.3897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C2C(=N1)N=CN2

Isomeric SMILES

CCCCCCCCSC1=NC=C2C(=N1)N=CN2

InChI

InChI=1S/C13H20N4S/c1-2-3-4-5-6-7-8-18-13-14-9-11-12(17-13)16-10-15-11/h9-10H,2-8H2,1H3,(H,14,15,16,17)