2-octylsulfanyl-7H-purin-6-amine

Systemtic Name: 2-octylsulfanyl-7H-purin-6-amine Openeye Name: 2-octylsulfanyl-7H-purin-6-amine CAS Name: 2-(octylthio)-7H-purin-6-amine IUPAC Name: 2-octylsulfanyl-7H-purin-6-amine Traditional Name: [2-(octylthio)-7H-purin-6-yl]amine Formula: C13H21N5S MolecularWeight: 279.40434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(C(=N1)N)NC=N2

Isomeric SMILES

CCCCCCCCSC1=NC2=C(C(=N1)N)NC=N2

InChI

InChI=1S/C13H21N5S/c1-2-3-4-5-6-7-8-19-13-17-11(14)10-12(18-13)16-9-15-10/h9H,2-8H2,1H3,(H3,14,15,16,17,18)