4-octylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-octylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-octylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(octylthio)-1H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-octylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(octylthio)-1H-pyrazolo[3,4-d]pyrimidine Formula: C13H20N4S MolecularWeight: 264.3897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=NC2=C1C=NN2

Isomeric SMILES

CCCCCCCCSC1=NC=NC2=C1C=NN2

InChI

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